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

C16H16ClF3N4O — CID 109296867

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1nccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C16H16ClF3N4O/c1-9(2)8-22-15-21-6-5-13(24-15)14(25)23-12-4-3-10(17)7-11(12)16(18,19)20/h3-7,9H,8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHYWUEHDGVNSNIX-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.47
Rot. Bonds5

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109296867) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109296867
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1nccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C16H16ClF3N4O/c1-9(2)8-22-15-21-6-5-13(24-15)14(25)23-12-4-3-10(17)7-11(12)16(18,19)20/h3-7,9H,8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHYWUEHDGVNSNIX-UHFFFAOYSA-N
XLogP4.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311831
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
CID 109295693
2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide
CID 109312178
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296875
N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311775
N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296803
N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296824
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311806
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)thiourea
CID 19676134

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109296867) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide is CC(C)CNc1nccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is HYWUEHDGVNSNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c1-9(2)8-22-15-21-6-5-13(24-15)14(25)23-12-4-3-10(17)7-11(12)16(18,19)20/h3-7,9H,8H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 372.78 g/mol, XLogP of 4.47, 5 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-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).