2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide

C13H15F3N6O — CID 75358377

IUPAC2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)nc(N(C)C)n1
InChIInChI=1S/C13H15F3N6O/c1-8-4-10(20-12(18-8)21(2)3)11(23)19-9-5-17-22(6-9)7-13(14,15)16/h4-6H,7H2,1-3H3,(H,19,23)
InChIKeyAPXVKFUHLLQIMQ-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.86
Rot. Bonds4

About 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide

2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide (PubChem CID 75358377) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide
PubChem CID75358377
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)nc(N(C)C)n1
InChIInChI=1S/C13H15F3N6O/c1-8-4-10(20-12(18-8)21(2)3)11(23)19-9-5-17-22(6-9)7-13(14,15)16/h4-6H,7H2,1-3H3,(H,19,23)
InChIKeyAPXVKFUHLLQIMQ-UHFFFAOYSA-N
XLogP1.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
CD38 inhibitor 3
CID 168679856
2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774253
2-imidazol-1-yl-N-pyrimidin-5-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774259
N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbohydrazide
CID 2810214
(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906482
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 28099779
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
N-(1-ethyl-1H-pyrazol-4-yl)-6-methyl-2-(morpholin-4-yl)pyrimidine-4-carboxamide
CID 56731242
3-isopropyl-1-methyl-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}-1H-pyrazole-5-carboxamide
CID 70713542
2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide
CID 71688915

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide (CID 75358377) is 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)nc(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide?
The InChIKey is APXVKFUHLLQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c1-8-4-10(20-12(18-8)21(2)3)11(23)19-9-5-17-22(6-9)7-13(14,15)16/h4-6H,7H2,1-3H3,(H,19,23).
What are the key properties of 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide?
2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide has a molecular weight of 328.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 75358377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).