2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide

C15H20N4OS — CID 56757094

IUPAC2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(CC(C)C)cc(C(=O)NCc2csc(C)n2)n1
InChIInChI=1S/C15H20N4OS/c1-9(2)5-12-6-14(18-10(3)17-12)15(20)16-7-13-8-21-11(4)19-13/h6,8-9H,5,7H2,1-4H3,(H,16,20)
InChIKeySSHVGACFVLJUJU-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide

2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 56757094) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide
PubChem CID56757094
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(CC(C)C)cc(C(=O)NCc2csc(C)n2)n1
InChIInChI=1S/C15H20N4OS/c1-9(2)5-12-6-14(18-10(3)17-12)15(20)16-7-13-8-21-11(4)19-13/h6,8-9H,5,7H2,1-4H3,(H,16,20)
InChIKeySSHVGACFVLJUJU-UHFFFAOYSA-N
XLogP2.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72861628
2-(Methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95842864
2-amino-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992433
2-(Methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride
CID 118741903
2-Amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-YL)propyl]pyrimidine-4-carboxamide
CID 118789124
2-amino-6-isopropyl-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 132420656
2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide
CID 164637661
1-[2-(4-Cyclopropyl-1,3-thiazol-2-yl)-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]ethanone
CID 132206825
N-{2-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-YL]ethyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 50952085
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 128972905
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 128990762
6-(difluoromethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 132389747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide (CID 56757094) is 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide is Cc1nc(CC(C)C)cc(C(=O)NCc2csc(C)n2)n1.
What is the InChIKey of 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is SSHVGACFVLJUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)5-12-6-14(18-10(3)17-12)15(20)16-7-13-8-21-11(4)19-13/h6,8-9H,5,7H2,1-4H3,(H,16,20).
What are the key properties of 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide?
2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 56757094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).