4-chloro-6-methylpyrimidin-2-amine

C5H6ClN3 — CID 21810

IUPAC4-chloro-6-methylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(N)n1
InChIInChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)
InChIKeyNPTGVVKPLWFPPX-UHFFFAOYSA-N
MW143.58 g/mol
LogP1.02
Rot. Bonds

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

4-chloro-6-methylpyrimidin-2-amine (PubChem CID 21810) has the molecular formula C5H6ClN3 and a molecular weight of 143.58 g/mol. Its IUPAC name is 4-chloro-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methylpyrimidin-2-amine
PubChem CID21810
Molecular FormulaC5H6ClN3
Molecular Weight143.58 g/mol
Exact Mass143.03
IUPAC Name4-chloro-6-methylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(N)n1
InChIInChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)
InChIKeyNPTGVVKPLWFPPX-UHFFFAOYSA-N
XLogP1.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.58
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methylpyrimidin-2-amine (CID 21810) is 4-chloro-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methylpyrimidin-2-amine is Cc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-methylpyrimidin-2-amine?
The InChIKey is NPTGVVKPLWFPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9).
What are the key properties of 4-chloro-6-methylpyrimidin-2-amine?
4-chloro-6-methylpyrimidin-2-amine has a molecular weight of 143.58 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylpyrimidin-2-amine is sourced from PubChem (CID 21810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).