5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

C12H16N4S — CID 72887352

IUPAC5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1csc(CCNc2ncnc(C)c2C)n1
InChIInChI=1S/C12H16N4S/c1-8-6-17-11(16-8)4-5-13-12-9(2)10(3)14-7-15-12/h6-7H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyTYADOGAFZLJTPZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.51
Rot. Bonds4

About 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 72887352) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID72887352
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1csc(CCNc2ncnc(C)c2C)n1
InChIInChI=1S/C12H16N4S/c1-8-6-17-11(16-8)4-5-13-12-9(2)10(3)14-7-15-12/h6-7H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyTYADOGAFZLJTPZ-UHFFFAOYSA-N
XLogP2.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-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 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 72887352) is 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is Cc1csc(CCNc2ncnc(C)c2C)n1.
What is the InChIKey of 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is TYADOGAFZLJTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-6-17-11(16-8)4-5-13-12-9(2)10(3)14-7-15-12/h6-7H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 72887352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).