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

C16H16ClF3N4O — CID 109360128

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(C)n1
InChIInChI=1S/C16H16ClF3N4O/c1-3-6-21-14-8-13(22-9(2)23-14)15(25)24-12-7-10(16(18,19)20)4-5-11(12)17/h4-5,7-8H,3,6H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyILRVRMUOMDALRW-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.53
Rot. Bonds5

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109360128) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID109360128
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(C)n1
InChIInChI=1S/C16H16ClF3N4O/c1-3-6-21-14-8-13(22-9(2)23-14)15(25)24-12-7-10(16(18,19)20)4-5-11(12)17/h4-5,7-8H,3,6H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyILRVRMUOMDALRW-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 109361692
6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109361683
N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846733
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354252
2-methyl-6-(propylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109360086
1-N-butyl-4-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043789
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340340
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360009
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319403

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide (CID 109360128) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(C)n1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is ILRVRMUOMDALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c1-3-6-21-14-8-13(22-9(2)23-14)15(25)24-12-7-10(16(18,19)20)4-5-11(12)17/h4-5,7-8H,3,6H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 372.78 g/mol, XLogP of 4.53, 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]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109360128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).