5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C12H12N6S — CID 69092184

IUPAC5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1nccs1
InChIInChI=1S/C12H12N6S/c1-8-5-14-12(16-9-6-15-18(2)7-9)17-10(8)11-13-3-4-19-11/h3-7H,1-2H3,(H,14,16,17)
InChIKeyWWCNCCQINYDLBF-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.39
Rot. Bonds3

About 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 69092184) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID69092184
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1nccs1
InChIInChI=1S/C12H12N6S/c1-8-5-14-12(16-9-6-15-18(2)7-9)17-10(8)11-13-3-4-19-11/h3-7H,1-2H3,(H,14,16,17)
InChIKeyWWCNCCQINYDLBF-UHFFFAOYSA-N
XLogP2.39
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 69092184) is 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Cc1cnc(Nc2cnn(C)c2)nc1-c1nccs1.
What is the InChIKey of 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is WWCNCCQINYDLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-8-5-14-12(16-9-6-15-18(2)7-9)17-10(8)11-13-3-4-19-11/h3-7H,1-2H3,(H,14,16,17).
What are the key properties of 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 272.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylpyrazol-4-yl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 69092184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).