4,6-Diamino-2-phenylpyrimidine-5-carbonitrile

CAS

91093-93-5

Catalog Number

ACM91093935

Category

Other Products

Molecular Weight

211.222660 [g/mol]

Molecular Formula

C₁₁H₉N₅

MSDS COA Spec Sheet

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Specification

Synonyms

91093-93-5, SBB069052, ZINC54967271, AKOS015917087, FT-0654329, 4,6-diamino-2-phenyl-5-pyrimidinecarbonitrile, 4,6-diamino-2-phenylpyrimidine-5-carbonitrile, A843719, 4,6-bis(azanyl)-2-phenyl-pyrimidine-5-carbonitrile, S03-0124

IUPAC Name

4,6-diamino-2-phenylpyrimidine-5-carbonitrile

Canonical SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=N2)N)C#N)N

InChI Key

PCYQBPVXFPNNQK-UHFFFAOYSA-N

Exact Mass

211.08600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile?

The molecular formula of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile is C11H9N5.

When was 4,6-diamino-2-phenylpyrimidine-5-carbonitrile created in PubChem?

4,6-diamino-2-phenylpyrimidine-5-carbonitrile was created in PubChem on September 1, 2009.

What is the computed molecular weight of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile?

The computed molecular weight of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile is 211.22 g/mol.

What is the InChIKey of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile?

The InChIKey of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile is PCYQBPVXFPNNQK-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 4,6-diamino-2-phenylpyrimidine-5-carbonitrile?

There are 2 hydrogen bond donor counts in 4,6-diamino-2-phenylpyrimidine-5-carbonitrile.

What is the topological polar surface area of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile?

The topological polar surface area of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile is 102 Å².

Is 4,6-diamino-2-phenylpyrimidine-5-carbonitrile a canonicalized compound?

Yes, 4,6-diamino-2-phenylpyrimidine-5-carbonitrile is a canonicalized compound.

How many rotatable bond counts are there in 4,6-diamino-2-phenylpyrimidine-5-carbonitrile?

There is 1 rotatable bond count in 4,6-diamino-2-phenylpyrimidine-5-carbonitrile.

What is the formal charge of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile?

The formal charge of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile is 0.

What is the complexity value of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile?

The complexity value of 4,6-diamino-2-phenylpyrimidine-5-carbonitrile is 265.