2-chloro-5-methylpyrimidin-4-amine

C5H6ClN3 — CID 4302175

IUPAC2-chloro-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1N
InChIInChI=1S/C5H6ClN3/c1-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)
InChIKeyZCQWIJBRCXQUNP-UHFFFAOYSA-N
MW143.58 g/mol
LogP1.02
Rot. Bonds

About 2-chloro-5-methylpyrimidin-4-amine

2-chloro-5-methylpyrimidin-4-amine (PubChem CID 4302175) has the molecular formula C5H6ClN3 and a molecular weight of 143.58 g/mol. Its IUPAC name is 2-chloro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methylpyrimidin-4-amine
PubChem CID4302175
Molecular FormulaC5H6ClN3
Molecular Weight143.58 g/mol
Exact Mass143.03
IUPAC Name2-chloro-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1N
InChIInChI=1S/C5H6ClN3/c1-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)
InChIKeyZCQWIJBRCXQUNP-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 2-chloro-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methylpyrimidin-4-amine (CID 4302175) is 2-chloro-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methylpyrimidin-4-amine is Cc1cnc(Cl)nc1N.
What is the InChIKey of 2-chloro-5-methylpyrimidin-4-amine?
The InChIKey is ZCQWIJBRCXQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3/c1-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9).
What are the key properties of 2-chloro-5-methylpyrimidin-4-amine?
2-chloro-5-methylpyrimidin-4-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 2-chloro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 4302175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).