2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C13H12F3N5O3 — CID 90730436

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(OC)nc(Nc2nc(C(F)(F)F)ccc2C(N)=O)n1
InChIInChI=1S/C13H12F3N5O3/c1-23-8-5-9(24-2)20-12(19-8)21-11-6(10(17)22)3-4-7(18-11)13(14,15)16/h3-5H,1-2H3,(H2,17,22)(H,18,19,20,21)
InChIKeyGULKPWWNINSLKA-UHFFFAOYSA-N
MW343.27 g/mol
LogP1.75
Rot. Bonds5

About 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 90730436) has the molecular formula C13H12F3N5O3 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID90730436
Molecular FormulaC13H12F3N5O3
Molecular Weight343.27 g/mol
Exact Mass343.09
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(OC)nc(Nc2nc(C(F)(F)F)ccc2C(N)=O)n1
InChIInChI=1S/C13H12F3N5O3/c1-23-8-5-9(24-2)20-12(19-8)21-11-6(10(17)22)3-4-7(18-11)13(14,15)16/h3-5H,1-2H3,(H2,17,22)(H,18,19,20,21)
InChIKeyGULKPWWNINSLKA-UHFFFAOYSA-N
XLogP1.75
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 100975558
1-(4,6-Dimethoxypyrimidine-2-yl)-7-trifluoromethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 91140958
N-(6-methoxypyrimidin-4-yl)-6-methylpyridine-3-carboxamide
CID 75514019
N-(4-methoxy-6-methylpyrimidin-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 137978238
N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
CID 172003562
6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 14458347
N-(4,6-dimethoxypyrimidin-2-ylmethyl)-4-trifluoromethyl-nicotinamide
CID 59848500
N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 141048551
2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfonylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 141253947
6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide
CID 166012142
6-Trifluoromethyl-2-(4,6-dimethoxypyrimidine-2-yl)amino-3-pyridinecarboxylic acid methyl ester
CID 100975559
N-(4,6-dimethoxypyrimidin-2-yl)-N-[3-methoxycarbonyl-6-(trifluoromethyl)-2-pyridinyl]-N'-sulfocarbamimidate
CID 100975562

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 90730436) is 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(OC)nc(Nc2nc(C(F)(F)F)ccc2C(N)=O)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GULKPWWNINSLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O3/c1-23-8-5-9(24-2)20-12(19-8)21-11-6(10(17)22)3-4-7(18-11)13(14,15)16/h3-5H,1-2H3,(H2,17,22)(H,18,19,20,21).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 343.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90730436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).