N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C16H16ClF3N4O — CID 109340340

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ncn1
InChIInChI=1S/C16H16ClF3N4O/c1-9(2)7-21-14-6-13(22-8-23-14)15(25)24-12-5-10(16(18,19)20)3-4-11(12)17/h3-6,8-9H,7H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyOZTYLSQSFGJPJB-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.47
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109340340) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109340340
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ncn1
InChIInChI=1S/C16H16ClF3N4O/c1-9(2)7-21-14-6-13(22-8-23-14)15(25)24-12-5-10(16(18,19)20)3-4-11(12)17/h3-6,8-9H,7H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyOZTYLSQSFGJPJB-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-[2-chloro-5-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354252
6-(2-methylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109340331
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181346
methyl 4-chloro-3-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109340339
N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340281
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202996
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311806
N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340306
6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341522
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360128
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868173

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109340340) is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide is CC(C)CNc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ncn1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is OZTYLSQSFGJPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c1-9(2)7-21-14-6-13(22-8-23-14)15(25)24-12-5-10(16(18,19)20)3-4-11(12)17/h3-6,8-9H,7H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(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-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).