2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C17H17F3N4O — CID 109249844

IUPAC2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(NC2CCCC2)nc1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)13-7-3-4-8-14(13)24-15(25)11-9-21-16(22-10-11)23-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,24,25)(H,21,22,23)
InChIKeyPRBHMLYJZQPUJJ-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.10
Rot. Bonds4

About 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 109249844) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID109249844
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(NC2CCCC2)nc1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)13-7-3-4-8-14(13)24-15(25)11-9-21-16(22-10-11)23-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,24,25)(H,21,22,23)
InChIKeyPRBHMLYJZQPUJJ-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250623
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201
2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109166365
2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109263226
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109247396
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270003
6-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109341925
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 109249844) is 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cnc(NC2CCCC2)nc1.
What is the InChIKey of 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is PRBHMLYJZQPUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)13-7-3-4-8-14(13)24-15(25)11-9-21-16(22-10-11)23-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,24,25)(H,21,22,23).
What are the key properties of 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109249844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).