5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide

C13H17N5OS — CID 62175297

IUPAC5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCc1nccs1
InChIInChI=1S/C13H17N5OS/c1-8(2)12-16-6-9(14-3)11(18-12)13(19)17-7-10-15-4-5-20-10/h4-6,8,14H,7H2,1-3H3,(H,17,19)
InChIKeyZUGQSXOBEDEQDK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.03
Rot. Bonds5

About 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide

5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 62175297) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID62175297
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCc1nccs1
InChIInChI=1S/C13H17N5OS/c1-8(2)12-16-6-9(14-3)11(18-12)13(19)17-7-10-15-4-5-20-10/h4-6,8,14H,7H2,1-3H3,(H,17,19)
InChIKeyZUGQSXOBEDEQDK-UHFFFAOYSA-N
XLogP2.03
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide 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-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide (CID 62175297) is 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NCc1nccs1.
What is the InChIKey of 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ZUGQSXOBEDEQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8(2)12-16-6-9(14-3)11(18-12)13(19)17-7-10-15-4-5-20-10/h4-6,8,14H,7H2,1-3H3,(H,17,19).
What are the key properties of 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide?
5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62175297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).