4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C15H17ClN4O — CID 135547366

IUPAC4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(-c3ccc(Cl)cc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H17ClN4O/c1-19-6-8-20(9-7-19)15-17-13(10-14(21)18-15)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyDTOIXMGSEIWUOT-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.84
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135547366) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135547366
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(-c3ccc(Cl)cc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H17ClN4O/c1-19-6-8-20(9-7-19)15-17-13(10-14(21)18-15)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyDTOIXMGSEIWUOT-UHFFFAOYSA-N
XLogP1.84
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(4-Chlorophenyl)methyl]amino}-6-methyl-3,4-dihydropyrimidin-4-one
CID 135459601
2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135414578
2-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-4(3H)-one
CID 135491353
2-(4-benzylpiperazin-1-yl)-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135497598
2-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidin-4(3H)-one
CID 135515826
6-phenyl-2-(piperidin-1-yl)pyrimidin-4(3H)-one
CID 135400155
7-[(4-Chloro-2-fluorophenyl)methyl]-2-(dimethylamino)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665457
7-[(4-chloro-2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136665836
2-(4-Chloro-benzylamino)-6-trifluoromethyl-pyrimidin-4-ol
CID 135432878
2-[(4-chlorobenzyl)amino]-6-propyl-4(3H)-pyrimidinone
CID 135459609
2-(4-benzylpiperazin-1-yl)-6-phenylpyrimidin-4(3H)-one
CID 135485478
6-(4-chlorophenyl)-2-(4-phenyl-1-piperazinyl)-4(3H)-pyrimidinone
CID 135547390

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135547366) is 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2nc(-c3ccc(Cl)cc3)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DTOIXMGSEIWUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-19-6-8-20(9-7-19)15-17-13(10-14(21)18-15)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3,(H,17,18,21).
What are the key properties of 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 304.78 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135547366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).