6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide

C15H12ClF3N4O — CID 109339391

IUPAC6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C15H12ClF3N4O/c16-11-4-3-9(5-10(11)15(17,18)19)22-13-6-12(20-7-21-13)14(24)23-8-1-2-8/h3-8H,1-2H2,(H,23,24)(H,20,21,22)
InChIKeyWCTJVYZZUNTCCS-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.78
Rot. Bonds4

About 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide

6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide (PubChem CID 109339391) has the molecular formula C15H12ClF3N4O and a molecular weight of 356.74 g/mol. Its IUPAC name is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
PubChem CID109339391
Molecular FormulaC15H12ClF3N4O
Molecular Weight356.74 g/mol
Exact Mass356.07
IUPAC Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C15H12ClF3N4O/c16-11-4-3-9(5-10(11)15(17,18)19)22-13-6-12(20-7-21-13)14(24)23-8-1-2-8/h3-8H,1-2H2,(H,23,24)(H,20,21,22)
InChIKeyWCTJVYZZUNTCCS-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341546
6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339784
6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341522
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
methyl 4-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339364
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109342121
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide (CID 109339391) is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide is O=C(NC1CC1)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1.
What is the InChIKey of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide?
The InChIKey is WCTJVYZZUNTCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O/c16-11-4-3-9(5-10(11)15(17,18)19)22-13-6-12(20-7-21-13)14(24)23-8-1-2-8/h3-8H,1-2H2,(H,23,24)(H,20,21,22).
What are the key properties of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide?
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide has a molecular weight of 356.74 g/mol, XLogP of 3.78, 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]-N-cyclopropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).