5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one

C16H18N4O2 — CID 92648681

IUPAC5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCN1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C16H18N4O2/c1-19-7-9-20(10-8-19)16(22)13-11-17-14(18-15(13)21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,21)
InChIKeyATXRCPKEMHNTIR-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.82
Rot. Bonds2

About 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one

5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 92648681) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID92648681
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCN1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C16H18N4O2/c1-19-7-9-20(10-8-19)16(22)13-11-17-14(18-15(13)21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,21)
InChIKeyATXRCPKEMHNTIR-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

2-phenyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 92648674
ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 92648692
5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648682
5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 72908260
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 68709047
5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 70768057
6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
CID 70724558
6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
CID 110332074
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
4-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168589053
5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 133121935

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one (CID 92648681) is 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one is CN1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1.
What is the InChIKey of 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is ATXRCPKEMHNTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19-7-9-20(10-8-19)16(22)13-11-17-14(18-15(13)21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,21).
What are the key properties of 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one?
5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-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 5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 92648681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).