6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C16H15F3N4O — CID 109360904

IUPAC6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H15F3N4O/c1-9-20-13(8-14(21-9)22-10-6-7-10)15(24)23-12-5-3-2-4-11(12)16(17,18)19/h2-5,8,10H,6-7H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyHYWGQPSFIIFIGH-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.63
Rot. Bonds4

About 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109360904) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109360904
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H15F3N4O/c1-9-20-13(8-14(21-9)22-10-6-7-10)15(24)23-12-5-3-2-4-11(12)16(17,18)19/h2-5,8,10H,6-7H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyHYWGQPSFIIFIGH-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109341925
N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112850765
2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365945
6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363233
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112848302
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360175
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360950
2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109166365
6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109360895

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109360904) is 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is Cc1nc(NC2CC2)cc(C(=O)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is HYWGQPSFIIFIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-9-20-13(8-14(21-9)22-10-6-7-10)15(24)23-12-5-3-2-4-11(12)16(17,18)19/h2-5,8,10H,6-7H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109360904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).