6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C16H16ClF3N4O — CID 109360745

IUPAC6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C(=O)NC(C)C)n1
InChIInChI=1S/C16H16ClF3N4O/c1-8(2)21-15(25)13-7-14(23-9(3)22-13)24-10-4-5-12(17)11(6-10)16(18,19)20/h4-8H,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyOWCMPTHCERTPLO-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.34
Rot. Bonds4

About 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109360745) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109360745
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC Name6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C(=O)NC(C)C)n1
InChIInChI=1S/C16H16ClF3N4O/c1-8(2)21-15(25)13-7-14(23-9(3)22-13)24-10-4-5-12(17)11(6-10)16(18,19)20/h4-8H,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyOWCMPTHCERTPLO-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-[4-chloro-3-(trifluoromethyl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109373874
N-butyl-6-[4-chloro-3-(trifluoromethyl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361908
6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360708
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 122297610
1-[5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methylphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 70673707
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375
6-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109362634
N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362633
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341546

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109360745) is 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C(=O)NC(C)C)n1.
What is the InChIKey of 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is OWCMPTHCERTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c1-8(2)21-15(25)13-7-14(23-9(3)22-13)24-10-4-5-12(17)11(6-10)16(18,19)20/h4-8H,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 372.78 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).