3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol

C15H19N3O — CID 116896453

IUPAC3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol
SMILESCc1cc(-c2cccnc2)nc(C(CO)C(C)C)n1
InChIInChI=1S/C15H19N3O/c1-10(2)13(9-19)15-17-11(3)7-14(18-15)12-5-4-6-16-8-12/h4-8,10,13,19H,9H2,1-3H3
InChIKeyCZYBIGCHNAVIGV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.58
Rot. Bonds4

About 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol

3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol (PubChem CID 116896453) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol
PubChem CID116896453
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol
SMILESCc1cc(-c2cccnc2)nc(C(CO)C(C)C)n1
InChIInChI=1S/C15H19N3O/c1-10(2)13(9-19)15-17-11(3)7-14(18-15)12-5-4-6-16-8-12/h4-8,10,13,19H,9H2,1-3H3
InChIKeyCZYBIGCHNAVIGV-UHFFFAOYSA-N
XLogP2.58
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol 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-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol?
The IUPAC name of 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol (CID 116896453) is 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol is Cc1cc(-c2cccnc2)nc(C(CO)C(C)C)n1.
What is the InChIKey of 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol?
The InChIKey is CZYBIGCHNAVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)13(9-19)15-17-11(3)7-14(18-15)12-5-4-6-16-8-12/h4-8,10,13,19H,9H2,1-3H3.
What are the key properties of 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol?
3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol is sourced from PubChem (CID 116896453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).