2-(6-butyl-2-pyridinyl)-4-methylpyrimidine

C14H17N3 — CID 14253092

IUPAC2-(6-butyl-2-pyridinyl)-4-methylpyrimidine
SMILESCCCCc1cccc(-c2nccc(C)n2)n1
InChIInChI=1S/C14H17N3/c1-3-4-6-12-7-5-8-13(17-12)14-15-10-9-11(2)16-14/h5,7-10H,3-4,6H2,1-2H3
InChIKeyKSPMBPJLAPNXPT-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.19
Rot. Bonds4

About 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine

2-(6-butyl-2-pyridinyl)-4-methylpyrimidine (PubChem CID 14253092) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(6-butyl-2-pyridinyl)-4-methylpyrimidine
PubChem CID14253092
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(6-butyl-2-pyridinyl)-4-methylpyrimidine
SMILESCCCCc1cccc(-c2nccc(C)n2)n1
InChIInChI=1S/C14H17N3/c1-3-4-6-12-7-5-8-13(17-12)14-15-10-9-11(2)16-14/h5,7-10H,3-4,6H2,1-2H3
InChIKeyKSPMBPJLAPNXPT-UHFFFAOYSA-N
XLogP3.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-2-(6-propyl-2-pyridinyl)pyrimidine
CID 14253099
2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine
CID 54059485
4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine
CID 19780240
6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile
CID 123692334
2-methyl-6-tridecylpyridine
CID 572285
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-[6-[2-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 14148604
2-butyl-6-(6-tert-butyl-2-pyridinyl)pyridine
CID 145133431
6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carboximidamide;(E)-1-(6-methyl-2-pyridinyl)-N-[3-[6-(4-methylpyrimidin-2-yl)-2-pyridinyl]propoxy]ethanimine;hydrochloride
CID 172982856
2,6-dipentylpyridine
CID 58097448
4-hexyl-2-pyrimidin-2-ylpyrimidine
CID 67173308
(6-butyl-2-pyridinyl)methanamine
CID 67813294

Frequently Asked Questions

What is the IUPAC name of 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine?
The IUPAC name of 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine (CID 14253092) is 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine.
What is the SMILES notation for 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine?
The canonical SMILES for 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine is CCCCc1cccc(-c2nccc(C)n2)n1.
What is the InChIKey of 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine?
The InChIKey is KSPMBPJLAPNXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-4-6-12-7-5-8-13(17-12)14-15-10-9-11(2)16-14/h5,7-10H,3-4,6H2,1-2H3.
What are the key properties of 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine?
2-(6-butyl-2-pyridinyl)-4-methylpyrimidine has a molecular weight of 227.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butyl-2-pyridinyl)-4-methylpyrimidine is sourced from PubChem (CID 14253092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).