CAS
913322-59-5 Purity
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913322-59-5 Purity
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2-Pyrimidinamine,4-(5-iodo-2-thienyl)-6-methyl-
CAS
913322-62-0
Catalog Number
ACM913322620
Category
Other Products
Molecular Weight
317.14939
Molecular Formula
C9H8 I N3 S
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Specification
Synonyms
4-(5-IODOTHIEN-2-YL)-6-METHYLPYRIMIDIN-2-AMINE
IUPAC Name
4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine
Canonical SMILES
CC1=NC(=NC(=C1)C2=CC=C(S2)I)N
InChI Key
HOYXBBCWVHDVLZ-UHFFFAOYSA-N
Exact Mass
316.94800
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C9H8IN3S.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine.
What is the molecular weight of the compound?
The molecular weight of the compound is 317.15 g/mol.
What is the CAS number of the compound?
The CAS number of the compound is 913322-62-0.
What is the InChIKey of the compound?
The InChIKey of the compound is HOYXBBCWVHDVLZ-UHFFFAOYSA-N.
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.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.3.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 80 ?2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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