6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C12H16N4S — CID 60965276

IUPAC6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2nccs2)nc(C(C)C)n1
InChIInChI=1S/C12H16N4S/c1-8(2)12-15-9(3)6-10(16-12)14-7-11-13-4-5-17-11/h4-6,8H,7H2,1-3H3,(H,14,15,16)
InChIKeyYODZROYFTLOHJY-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.98
Rot. Bonds4

About 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 60965276) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID60965276
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2nccs2)nc(C(C)C)n1
InChIInChI=1S/C12H16N4S/c1-8(2)12-15-9(3)6-10(16-12)14-7-11-13-4-5-17-11/h4-6,8H,7H2,1-3H3,(H,14,15,16)
InChIKeyYODZROYFTLOHJY-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)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 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 60965276) is 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is Cc1cc(NCc2nccs2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is YODZROYFTLOHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8(2)12-15-9(3)6-10(16-12)14-7-11-13-4-5-17-11/h4-6,8H,7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 60965276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).