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

C15H12ClF3N4O — CID 109295693

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccnc(NC2CC2)n1
InChIInChI=1S/C15H12ClF3N4O/c16-8-1-4-11(10(7-8)15(17,18)19)22-13(24)12-5-6-20-14(23-12)21-9-2-3-9/h1,4-7,9H,2-3H2,(H,22,24)(H,20,21,23)
InChIKeyNNJPRQFYYMJDQX-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.98
Rot. Bonds4

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide (PubChem CID 109295693) has the molecular formula C15H12ClF3N4O and a molecular weight of 356.74 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
PubChem CID109295693
Molecular FormulaC15H12ClF3N4O
Molecular Weight356.74 g/mol
Exact Mass356.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccnc(NC2CC2)n1
InChIInChI=1S/C15H12ClF3N4O/c16-8-1-4-11(10(7-8)15(17,18)19)22-13(24)12-5-6-20-14(23-12)21-9-2-3-9/h1,4-7,9H,2-3H2,(H,22,24)(H,20,21,23)
InChIKeyNNJPRQFYYMJDQX-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109295710
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296867
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250623
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311831
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
N-(2-tert-butylphenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311458
2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide
CID 109312178
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109295704
2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556481

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide (CID 109295693) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccnc(NC2CC2)n1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide?
The InChIKey is NNJPRQFYYMJDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O/c16-8-1-4-11(10(7-8)15(17,18)19)22-13(24)12-5-6-20-14(23-12)21-9-2-3-9/h1,4-7,9H,2-3H2,(H,22,24)(H,20,21,23).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide has a molecular weight of 356.74 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).