5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one

C14H16FN5O — CID 135575716

IUPAC5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCN(c3ccc(F)cc3)CC2)nc[nH]c1=O
InChIInChI=1S/C14H16FN5O/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)13-12(16)14(21)18-9-17-13/h1-4,9H,5-8,16H2,(H,17,18,21)
InChIKeyXPZQRUNRBIGGDQ-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.82
Rot. Bonds2

About 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135575716) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135575716
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCN(c3ccc(F)cc3)CC2)nc[nH]c1=O
InChIInChI=1S/C14H16FN5O/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)13-12(16)14(21)18-9-17-13/h1-4,9H,5-8,16H2,(H,17,18,21)
InChIKeyXPZQRUNRBIGGDQ-UHFFFAOYSA-N
XLogP0.82
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575715
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
5-amino-4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979394
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978043
5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989851
5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822013
3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 114571063
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
CID 19152575
5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine
CID 61230190
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135575716) is 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one is Nc1c(N2CCN(c3ccc(F)cc3)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XPZQRUNRBIGGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)13-12(16)14(21)18-9-17-13/h1-4,9H,5-8,16H2,(H,17,18,21).
What are the key properties of 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 289.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135575716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).