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

C17H18FN3O2 — CID 56860945

IUPAC5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC2c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C17H18FN3O2/c1-10(2)15-19-9-13(16(22)20-15)17(23)21-8-7-14(21)11-3-5-12(18)6-4-11/h3-6,9-10,14H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyQUAUWZMMDUAHJV-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.62
Rot. Bonds3

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

5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 56860945) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID56860945
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC2c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C17H18FN3O2/c1-10(2)15-19-9-13(16(22)20-15)17(23)21-8-7-14(21)11-3-5-12(18)6-4-11/h3-6,9-10,14H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyQUAUWZMMDUAHJV-UHFFFAOYSA-N
XLogP2.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 97132026
(2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 137337531
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70772515
2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97122736
5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 154891284
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70713095
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
CID 120637115
[(2S)-2-(4-fluorophenyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126428959
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 56860945) is 5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCC2c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QUAUWZMMDUAHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-10(2)15-19-9-13(16(22)20-15)17(23)21-8-7-14(21)11-3-5-12(18)6-4-11/h3-6,9-10,14H,7-8H2,1-2H3,(H,19,20,22).
What are the key properties of 5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 315.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 56860945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).