N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C19H21F3N4O — CID 109364049

IUPACN-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C19H21F3N4O/c1-12-23-16(18(27)26-14-5-3-2-4-6-14)11-17(24-12)25-15-9-7-13(8-10-15)19(20,21)22/h7-11,14H,2-6H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyZSMVKMRVRBWJAQ-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.61
Rot. Bonds4

About N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109364049) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109364049
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C19H21F3N4O/c1-12-23-16(18(27)26-14-5-3-2-4-6-14)11-17(24-12)25-15-9-7-13(8-10-15)19(20,21)22/h7-11,14H,2-6H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyZSMVKMRVRBWJAQ-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363428
6-(3-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363363
N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363336
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109274017
2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
methyl 3-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846398
N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109361116
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109364049) is N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is ZSMVKMRVRBWJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-12-23-16(18(27)26-14-5-3-2-4-6-14)11-17(24-12)25-15-9-7-13(8-10-15)19(20,21)22/h7-11,14H,2-6H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109364049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).