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

C16H18N4O2 — CID 110332074

IUPAC6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
SMILESCN1CCN(C(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)CC1
InChIInChI=1S/C16H18N4O2/c1-19-7-9-20(10-8-19)15(21)14-11-13(17-16(22)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,22)
InChIKeyIYPYQMYDZQYDSO-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.82
Rot. Bonds2

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

6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one (PubChem CID 110332074) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
PubChem CID110332074
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
SMILESCN1CCN(C(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)CC1
InChIInChI=1S/C16H18N4O2/c1-19-7-9-20(10-8-19)15(21)14-11-13(17-16(22)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,22)
InChIKeyIYPYQMYDZQYDSO-UHFFFAOYSA-N
XLogP0.82
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
CID 110332244
4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332367
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-(3,4-dimethylphenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carbaldehyde
CID 110332553
ethyl 4-[4-(4-chlorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332311
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
N-(2-morpholin-4-ylethyl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332072
4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332406
4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332379
[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 72862196

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one (CID 110332074) is 6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one is CN1CCN(C(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)CC1.
What is the InChIKey of 6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one?
The InChIKey is IYPYQMYDZQYDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19-7-9-20(10-8-19)15(21)14-11-13(17-16(22)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,22).
What are the key properties of 6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one?
6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one has a molecular weight of 298.35 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 110332074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).