5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C19H15FN4O2 — CID 97132026

IUPAC5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(-c2ccccn2)[nH]c1=O)N1CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2/c20-13-6-4-12(5-7-13)16-8-10-24(16)19(26)14-11-22-17(23-18(14)25)15-3-1-2-9-21-15/h1-7,9,11,16H,8,10H2,(H,22,23,25)/t16-/m0/s1
InChIKeyJJPLOZKFNMOMBI-INIZCTEOSA-N
MW350.35 g/mol
LogP2.56
Rot. Bonds3

About 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 97132026) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID97132026
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(-c2ccccn2)[nH]c1=O)N1CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2/c20-13-6-4-12(5-7-13)16-8-10-24(16)19(26)14-11-22-17(23-18(14)25)15-3-1-2-9-21-15/h1-7,9,11,16H,8,10H2,(H,22,23,25)/t16-/m0/s1
InChIKeyJJPLOZKFNMOMBI-INIZCTEOSA-N
XLogP2.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 56860945
5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 133121935
5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 97155188
(2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 137337531
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 47780747
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 94824320
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 167390272
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72928211
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 97132026) is 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is O=C(c1cnc(-c2ccccn2)[nH]c1=O)N1CC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is JJPLOZKFNMOMBI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-13-6-4-12(5-7-13)16-8-10-24(16)19(26)14-11-22-17(23-18(14)25)15-3-1-2-9-21-15/h1-7,9,11,16H,8,10H2,(H,22,23,25)/t16-/m0/s1.
What are the key properties of 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 350.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 97132026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).