2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C16H15F3N4O — CID 20959316

IUPAC2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)12-4-3-5-13(8-12)22-14(24)11-9-20-15(21-10-11)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,22,24)
InChIKeyQUMXJNZQTCUCLP-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.35
Rot. Bonds3

About 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 20959316) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID20959316
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)12-4-3-5-13(8-12)22-14(24)11-9-20-15(21-10-11)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,22,24)
InChIKeyQUMXJNZQTCUCLP-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-pyrrolidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109249479
methyl 3-[[2-(azepan-1-yl)pyrimidine-5-carbonyl]amino]benzoate
CID 109265014
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250257
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
N-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959344
4-methyl-2-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 66504153
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249147
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 20959316) is 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is QUMXJNZQTCUCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)12-4-3-5-13(8-12)22-14(24)11-9-20-15(21-10-11)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,22,24).
What are the key properties of 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 20959316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).