1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol

C19H20N4OS — CID 3525814

IUPAC1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCc1nc(-c2cncc(-c3cccs3)c2)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C19H20N4OS/c1-13-21-17(10-19(22-13)23-6-4-16(24)5-7-23)14-9-15(12-20-11-14)18-3-2-8-25-18/h2-3,8-12,16,24H,4-7H2,1H3
InChIKeyKMYSWVOQPYAWLF-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.54
Rot. Bonds3

About 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol

1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 3525814) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID3525814
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCc1nc(-c2cncc(-c3cccs3)c2)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C19H20N4OS/c1-13-21-17(10-19(22-13)23-6-4-16(24)5-7-23)14-9-15(12-20-11-14)18-3-2-8-25-18/h2-3,8-12,16,24H,4-7H2,1H3
InChIKeyKMYSWVOQPYAWLF-UHFFFAOYSA-N
XLogP3.54
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-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 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol (CID 3525814) is 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol is Cc1nc(-c2cncc(-c3cccs3)c2)cc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is KMYSWVOQPYAWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-21-17(10-19(22-13)23-6-4-16(24)5-7-23)14-9-15(12-20-11-14)18-3-2-8-25-18/h2-3,8-12,16,24H,4-7H2,1H3.
What are the key properties of 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol?
1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 352.46 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 3525814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).