2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one

C10H9ClN4O — CID 135909391

IUPAC2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N)cn2)[nH]c(=O)c1Cl
InChIInChI=1S/C10H9ClN4O/c1-5-8(11)10(16)15-9(14-5)7-3-2-6(12)4-13-7/h2-4H,12H2,1H3,(H,14,15,16)
InChIKeyKOWIVPQBUIHTSO-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.38
Rot. Bonds1

About 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one

2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one (PubChem CID 135909391) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one
PubChem CID135909391
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N)cn2)[nH]c(=O)c1Cl
InChIInChI=1S/C10H9ClN4O/c1-5-8(11)10(16)15-9(14-5)7-3-2-6(12)4-13-7/h2-4H,12H2,1H3,(H,14,15,16)
InChIKeyKOWIVPQBUIHTSO-UHFFFAOYSA-N
XLogP1.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one (CID 135909391) is 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(N)cn2)[nH]c(=O)c1Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KOWIVPQBUIHTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-5-8(11)10(16)15-9(14-5)7-3-2-6(12)4-13-7/h2-4H,12H2,1H3,(H,14,15,16).
What are the key properties of 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one?
2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 236.66 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-5-chloro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135909391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).