N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide

C15H13F2N3O — CID 121377064

IUPACN-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(F)cc1F)c1ncccn1
InChIInChI=1S/C15H13F2N3O/c16-9-2-3-10(12(17)8-9)11-4-5-13(11)20-15(21)14-18-6-1-7-19-14/h1-3,6-8,11,13H,4-5H2,(H,20,21)/t11-,13-/m0/s1
InChIKeyVZNLSXGSHXGMRA-AAEUAGOBSA-N
MW289.28 g/mol
LogP2.43
Rot. Bonds3

About N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide

N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide (PubChem CID 121377064) has the molecular formula C15H13F2N3O and a molecular weight of 289.28 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide
PubChem CID121377064
Molecular FormulaC15H13F2N3O
Molecular Weight289.28 g/mol
Exact Mass289.10
IUPAC NameN-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(F)cc1F)c1ncccn1
InChIInChI=1S/C15H13F2N3O/c16-9-2-3-10(12(17)8-9)11-4-5-13(11)20-15(21)14-18-6-1-7-19-14/h1-3,6-8,11,13H,4-5H2,(H,20,21)/t11-,13-/m0/s1
InChIKeyVZNLSXGSHXGMRA-AAEUAGOBSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 123867173
N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide
CID 121377101
4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 135150657
2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide
CID 121377181
2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120555147
cis-(1R,3S)-3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678040
cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97213304
4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
CID 166247059
4-acetyl-N-[2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
CID 126813051
2,4-difluoro-N-[(3R,4R)-4-methylpiperidin-3-yl]benzamide
CID 95401781
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 127264724

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide (CID 121377064) is N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide is O=C(N[C@H]1CC[C@H]1c1ccc(F)cc1F)c1ncccn1.
What is the InChIKey of N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide?
The InChIKey is VZNLSXGSHXGMRA-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-9-2-3-10(12(17)8-9)11-4-5-13(11)20-15(21)14-18-6-1-7-19-14/h1-3,6-8,11,13H,4-5H2,(H,20,21)/t11-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide?
N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide has a molecular weight of 289.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 121377064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).