3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine

C11H11ClN4 — CID 122270483

IUPAC3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(CNc2ncccc2Cl)ncn1
InChIInChI=1S/C11H11ClN4/c1-8-5-9(16-7-15-8)6-14-11-10(12)3-2-4-13-11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyNGCJGDDTNQUVDR-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.45
Rot. Bonds3

About 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine

3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine (PubChem CID 122270483) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine
PubChem CID122270483
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(CNc2ncccc2Cl)ncn1
InChIInChI=1S/C11H11ClN4/c1-8-5-9(16-7-15-8)6-14-11-10(12)3-2-4-13-11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyNGCJGDDTNQUVDR-UHFFFAOYSA-N
XLogP2.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine 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 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine (CID 122270483) is 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine is Cc1cc(CNc2ncccc2Cl)ncn1.
What is the InChIKey of 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine?
The InChIKey is NGCJGDDTNQUVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-8-5-9(16-7-15-8)6-14-11-10(12)3-2-4-13-11/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine?
3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine has a molecular weight of 234.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 122270483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).