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

C18H18ClF3N4O — CID 109250623

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C18H18ClF3N4O/c19-12-6-7-15(14(8-12)18(20,21)22)26-16(27)11-9-23-17(24-10-11)25-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,26,27)(H,23,24,25)
InChIKeyDTQGANVMYHKLCY-UHFFFAOYSA-N
MW398.82 g/mol
LogP5.15
Rot. Bonds4

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide (PubChem CID 109250623) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
PubChem CID109250623
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C18H18ClF3N4O/c19-12-6-7-15(14(8-12)18(20,21)22)26-16(27)11-9-23-17(24-10-11)25-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,26,27)(H,23,24,25)
InChIKeyDTQGANVMYHKLCY-UHFFFAOYSA-N
XLogP5.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.82
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
CID 109295693
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250990
N-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249827
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253975
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152592
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide (CID 109250623) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnc(NC2CCCCC2)nc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The InChIKey is DTQGANVMYHKLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c19-12-6-7-15(14(8-12)18(20,21)22)26-16(27)11-9-23-17(24-10-11)25-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,26,27)(H,23,24,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 5.15, 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-(cyclohexylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).