6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide

C15H12ClF3N4O — CID 109339784

IUPAC6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C15H12ClF3N4O/c1-2-5-20-14(24)12-7-13(22-8-21-12)23-9-3-4-11(16)10(6-9)15(17,18)19/h2-4,6-8H,1,5H2,(H,20,24)(H,21,22,23)
InChIKeyYYENKLXCFGRNAA-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.81
Rot. Bonds5

About 6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide

6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109339784) 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-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109339784
Molecular FormulaC15H12ClF3N4O
Molecular Weight356.74 g/mol
Exact Mass356.07
IUPAC Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C15H12ClF3N4O/c1-2-5-20-14(24)12-7-13(22-8-21-12)23-9-3-4-11(16)10(6-9)15(17,18)19/h2-4,6-8H,1,5H2,(H,20,24)(H,21,22,23)
InChIKeyYYENKLXCFGRNAA-UHFFFAOYSA-N
XLogP3.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
CID 109339391
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341546
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339792
6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339744
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392
N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109339802
N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109339717
4-N-tert-butyl-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112863845
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346273
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
N-butyl-6-[4-chloro-3-(trifluoromethyl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361908

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide (CID 109339784) is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1.
What is the InChIKey of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is YYENKLXCFGRNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O/c1-2-5-20-14(24)12-7-13(22-8-21-12)23-9-3-4-11(16)10(6-9)15(17,18)19/h2-4,6-8H,1,5H2,(H,20,24)(H,21,22,23).
What are the key properties of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide?
6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 356.74 g/mol, XLogP of 3.81, 5 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-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).