6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one

C16H18N4O2 — CID 124948429

IUPAC6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCc1cc(C(=O)N2CCNC[C@@H]2c2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C16H18N4O2/c1-11-9-13(19-16(22)18-11)15(21)20-8-7-17-10-14(20)12-5-3-2-4-6-12/h2-6,9,14,17H,7-8,10H2,1H3,(H,18,19,22)/t14-/m1/s1
InChIKeyCMUWZEYEXBZDOF-CQSZACIVSA-N
MW298.35 g/mol
LogP0.87
Rot. Bonds2

About 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one

6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one (PubChem CID 124948429) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one
PubChem CID124948429
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCc1cc(C(=O)N2CCNC[C@@H]2c2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C16H18N4O2/c1-11-9-13(19-16(22)18-11)15(21)20-8-7-17-10-14(20)12-5-3-2-4-6-12/h2-6,9,14,17H,7-8,10H2,1H3,(H,18,19,22)/t14-/m1/s1
InChIKeyCMUWZEYEXBZDOF-CQSZACIVSA-N
XLogP0.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124944166
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
(2-methylpyrazol-3-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124995782
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 95001107
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one (CID 124948429) is 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one is Cc1cc(C(=O)N2CCNC[C@@H]2c2ccccc2)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one?
The InChIKey is CMUWZEYEXBZDOF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-9-13(19-16(22)18-11)15(21)20-8-7-17-10-14(20)12-5-3-2-4-6-12/h2-6,9,14,17H,7-8,10H2,1H3,(H,18,19,22)/t14-/m1/s1.
What are the key properties of 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one?
6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one has a molecular weight of 298.35 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124948429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).