4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine

C10H13N3 — CID 18328014

IUPAC4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
SMILESCc1ccnc(C2=CCNCC2)n1
InChIInChI=1S/C10H13N3/c1-8-2-7-12-10(13-8)9-3-5-11-6-4-9/h2-3,7,11H,4-6H2,1H3
InChIKeySKAGPAYGANVNSA-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.16
Rot. Bonds1

About 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine

4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine (PubChem CID 18328014) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
PubChem CID18328014
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
SMILESCc1ccnc(C2=CCNCC2)n1
InChIInChI=1S/C10H13N3/c1-8-2-7-12-10(13-8)9-3-5-11-6-4-9/h2-3,7,11H,4-6H2,1H3
InChIKeySKAGPAYGANVNSA-UHFFFAOYSA-N
XLogP1.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine 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 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine (CID 18328014) is 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine is Cc1ccnc(C2=CCNCC2)n1.
What is the InChIKey of 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
The InChIKey is SKAGPAYGANVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-2-7-12-10(13-8)9-3-5-11-6-4-9/h2-3,7,11H,4-6H2,1H3.
What are the key properties of 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine has a molecular weight of 175.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine is sourced from PubChem (CID 18328014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).