2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one

C16H19FN4O — CID 135515826

IUPAC2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C16H19FN4O/c1-2-20-7-9-21(10-8-20)16-18-14(11-15(22)19-16)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,18,19,22)
InChIKeyKKQIYYGKENVGDH-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.72
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one

2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 135515826) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID135515826
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C16H19FN4O/c1-2-20-7-9-21(10-8-20)16-18-14(11-15(22)19-16)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,18,19,22)
InChIKeyKKQIYYGKENVGDH-UHFFFAOYSA-N
XLogP1.72
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
4-[1-(2,6-difluorophenyl)ethyl]-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846089
4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135846115
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
2-(4-Benzylpiperazin-1-yl)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135577790
4-Hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile
CID 135497667
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830
2-(4-benzylpiperazin-1-yl)-5-butyl-6-hydroxypyrimidin-4(3H)-one
CID 666885
3-(4-fluorobenzyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 7080707
6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 7080709
4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135410318
2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135414578

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one (CID 135515826) is 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one is CCN1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is KKQIYYGKENVGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-20-7-9-21(10-8-20)16-18-14(11-15(22)19-16)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,18,19,22).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 302.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135515826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).