2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one

C22H24N4O2 — CID 135445432

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCOc1cccc(N2CCN(c3nc(-c4ccccc4C)cc(=O)[nH]3)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-16-6-3-4-9-19(16)20-15-21(27)24-22(23-20)26-12-10-25(11-13-26)17-7-5-8-18(14-17)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,27)
InChIKeyKYXCMUNPUKTMEP-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.08
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one

2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 135445432) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one
PubChem CID135445432
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCOc1cccc(N2CCN(c3nc(-c4ccccc4C)cc(=O)[nH]3)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-16-6-3-4-9-19(16)20-15-21(27)24-22(23-20)26-12-10-25(11-13-26)17-7-5-8-18(14-17)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,27)
InChIKeyKYXCMUNPUKTMEP-UHFFFAOYSA-N
XLogP3.08
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-Methoxyphenyl)piperazinyl]-3,5,6,7,8-pentahydroquinazolin-4-one
CID 135644892
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135491346
5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135491350
2-[4-(3-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155549220
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135445398
N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3567933
2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135445400
1-(1-Benzyl-2-oxo-1,2-dihydro-pyridin-3-yl)-3-(3-methoxy-phenyl)-urea
CID 1450040
N-(3-methoxyphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 3241623
1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-methoxy-phenyl)-5-(2-methyl-benzyl)-[1,3,5]triazinane-2,4,6-trione
CID 44387918
N-[[1-benzyl-4-(3-methoxyanilino)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide
CID 118724981
4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one
CID 135846114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one (CID 135445432) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one is COc1cccc(N2CCN(c3nc(-c4ccccc4C)cc(=O)[nH]3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is KYXCMUNPUKTMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-6-3-4-9-19(16)20-15-21(27)24-22(23-20)26-12-10-25(11-13-26)17-7-5-8-18(14-17)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,27).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 376.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135445432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).