2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide

C13H14N4OS — CID 146080117

IUPAC2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnc(C)s2)nc(C2CC2)n1
InChIInChI=1S/C13H14N4OS/c1-7-5-10(16-12(15-7)9-3-4-9)13(18)17-11-6-14-8(2)19-11/h5-6,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyZVMPUMYRMRTQKC-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.68
Rot. Bonds3

About 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide

2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 146080117) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide
PubChem CID146080117
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnc(C)s2)nc(C2CC2)n1
InChIInChI=1S/C13H14N4OS/c1-7-5-10(16-12(15-7)9-3-4-9)13(18)17-11-6-14-8(2)19-11/h5-6,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyZVMPUMYRMRTQKC-UHFFFAOYSA-N
XLogP2.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide (CID 146080117) is 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cnc(C)s2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is ZVMPUMYRMRTQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-7-5-10(16-12(15-7)9-3-4-9)13(18)17-11-6-14-8(2)19-11/h5-6,9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 146080117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).