6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine

C16H17N5S — CID 47059462

IUPAC6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NCCc2nc(C)cs2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H17N5S/c1-11-8-14(18-7-5-15-19-12(2)10-22-15)21-16(20-11)13-4-3-6-17-9-13/h3-4,6,8-10H,5,7H2,1-2H3,(H,18,20,21)
InChIKeyWFDQUKLTLRDDEF-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.27
Rot. Bonds5

About 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine

6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 47059462) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID47059462
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NCCc2nc(C)cs2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H17N5S/c1-11-8-14(18-7-5-15-19-12(2)10-22-15)21-16(20-11)13-4-3-6-17-9-13/h3-4,6,8-10H,5,7H2,1-2H3,(H,18,20,21)
InChIKeyWFDQUKLTLRDDEF-UHFFFAOYSA-N
XLogP3.27
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-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 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine (CID 47059462) is 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(NCCc2nc(C)cs2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is WFDQUKLTLRDDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-11-8-14(18-7-5-15-19-12(2)10-22-15)21-16(20-11)13-4-3-6-17-9-13/h3-4,6,8-10H,5,7H2,1-2H3,(H,18,20,21).
What are the key properties of 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 47059462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).