6-chloro-2-imino-3-methylpyrimidin-4-amine

C5H7ClN4 — CID 158307677

IUPAC6-chloro-2-imino-3-methylpyrimidin-4-amine
SMILES[H]/N=c1\nc(Cl)cc(N)n1C
InChIInChI=1S/C5H7ClN4/c1-10-4(7)2-3(6)9-5(10)8/h2,8H,7H2,1H3/b8-5+
InChIKeyDNCNQWGIAVQTIF-VMPITWQZSA-N
MW158.59 g/mol
LogP0.14
Rot. Bonds

About 6-chloro-2-imino-3-methylpyrimidin-4-amine

6-chloro-2-imino-3-methylpyrimidin-4-amine (PubChem CID 158307677) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 6-chloro-2-imino-3-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-imino-3-methylpyrimidin-4-amine
PubChem CID158307677
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name6-chloro-2-imino-3-methylpyrimidin-4-amine
SMILES[H]/N=c1\nc(Cl)cc(N)n1C
InChIInChI=1S/C5H7ClN4/c1-10-4(7)2-3(6)9-5(10)8/h2,8H,7H2,1H3/b8-5+
InChIKeyDNCNQWGIAVQTIF-VMPITWQZSA-N
XLogP0.14
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-imino-3-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-imino-3-methylpyrimidin-4-amine (CID 158307677) is 6-chloro-2-imino-3-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-imino-3-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-imino-3-methylpyrimidin-4-amine is [H]/N=c1\nc(Cl)cc(N)n1C.
What is the InChIKey of 6-chloro-2-imino-3-methylpyrimidin-4-amine?
The InChIKey is DNCNQWGIAVQTIF-VMPITWQZSA-N. The full InChI is InChI=1S/C5H7ClN4/c1-10-4(7)2-3(6)9-5(10)8/h2,8H,7H2,1H3/b8-5+.
What are the key properties of 6-chloro-2-imino-3-methylpyrimidin-4-amine?
6-chloro-2-imino-3-methylpyrimidin-4-amine has a molecular weight of 158.59 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-imino-3-methylpyrimidin-4-amine is sourced from PubChem (CID 158307677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).