4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one

C17H20N4O3 — CID 110295361

IUPAC4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3)[nH]c(=O)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-20-7-9-21(10-8-20)16(22)15-11-14(18-17(23)19-15)12-3-5-13(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,19,23)
InChIKeyFFVCACDOJHRZSC-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.83
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one

4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110295361) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110295361
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3)[nH]c(=O)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-20-7-9-21(10-8-20)16(22)15-11-14(18-17(23)19-15)12-3-5-13(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,19,23)
InChIKeyFFVCACDOJHRZSC-UHFFFAOYSA-N
XLogP0.83
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
CID 110332074
4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295412
4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332367
ethyl 4-[4-(4-chlorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332311
4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332158
4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332289
4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one
CID 110295479
4-[4-(3,4-dimethylphenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carbaldehyde
CID 110332553
4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332379
4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110295472
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one (CID 110295361) is 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one is COc1ccc(-c2cc(C(=O)N3CCN(C)CC3)[nH]c(=O)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is FFVCACDOJHRZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20-7-9-21(10-8-20)16(22)15-11-14(18-17(23)19-15)12-3-5-13(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,19,23).
What are the key properties of 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 328.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110295361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).