2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

C18H19FN4O2 — CID 74242568

IUPAC2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN4O2/c19-14-3-1-2-4-15(14)22-7-9-23(10-8-22)18(25)13-11-20-16(12-5-6-12)21-17(13)24/h1-4,11-12H,5-10H2,(H,20,21,24)
InChIKeyMXIGJETTZBYQJD-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.75
Rot. Bonds3

About 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 74242568) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID74242568
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN4O2/c19-14-3-1-2-4-15(14)22-7-9-23(10-8-22)18(25)13-11-20-16(12-5-6-12)21-17(13)24/h1-4,11-12H,5-10H2,(H,20,21,24)
InChIKeyMXIGJETTZBYQJD-UHFFFAOYSA-N
XLogP1.75
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 22334042
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42843948
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one
CID 110295970
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 156586016
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 74242568) is 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc(C2CC2)[nH]c1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is MXIGJETTZBYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-14-3-1-2-4-15(14)22-7-9-23(10-8-22)18(25)13-11-20-16(12-5-6-12)21-17(13)24/h1-4,11-12H,5-10H2,(H,20,21,24).
What are the key properties of 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 342.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 74242568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).