CAS
905560-36-3 Purity
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905560-36-3 Purity
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4-Isopropoxy-6-methyl-2-pyrimidinamine
CAS
90556-28-8
Catalog Number
ACM90556288
Category
Other Products
Molecular Weight
167.208320 [g/mol]
Molecular Formula
C8H13N3O
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Specification
Synonyms
4-isopropoxy-6-methylpyrimidin-2-amine, 90556-28-8, ZINC00073322, AC1LBCZG, Maybridge3_004603, AC1Q57RS, SureCN8795406, Oprea1_718532, CTK5G8086, CCG-775, MolPort-002-912-600, HMS1444B05, RDR02028, AR-1G2955, AKOS006272149, AG-K-83713, MCULE-1863360126, 4-Isopropoxy-6-methyl-2-pyrimidinamine, IDI1_015990, AK121382
IUPAC Name
4-methyl-6-propan-2-yloxypyrimidin-2-amine
Canonical SMILES
CC1=CC(=NC(=N1)N)OC(C)C
InChI Key
SGSMTBSMVGCSHB-UHFFFAOYSA-N
Boiling Point
334.8ºC at 760 mmHg
Flash Point
156.3ºC
Density
1.101g/cm³
Exact Mass
167.10600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C8H13N3O.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H13N3O/c1-5(2)12-7-4-6(3)10-8(9)11-7/h4-5H,1-3H3,(H2,9,10,11).
What is the InChIKey of the compound?
The InChIKey of the compound is SGSMTBSMVGCSHB-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight of the compound is 167.21 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.4.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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