4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one

C12H18N4O2 — CID 114217404

IUPAC4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
SMILESCc1ccn(CCC(=O)N2CCNCC2)c(=O)n1
InChIInChI=1S/C12H18N4O2/c1-10-2-6-16(12(18)14-10)7-3-11(17)15-8-4-13-5-9-15/h2,6,13H,3-5,7-9H2,1H3
InChIKeyMPIYTJKLBVENNZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.63
Rot. Bonds3

About 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one

4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one (PubChem CID 114217404) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
PubChem CID114217404
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
SMILESCc1ccn(CCC(=O)N2CCNCC2)c(=O)n1
InChIInChI=1S/C12H18N4O2/c1-10-2-6-16(12(18)14-10)7-3-11(17)15-8-4-13-5-9-15/h2,6,13H,3-5,7-9H2,1H3
InChIKeyMPIYTJKLBVENNZ-UHFFFAOYSA-N
XLogP-0.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide
CID 123143185
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]propanamide
CID 46989095
4-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]piperazine-1-carboxamide
CID 46990842
4,6-Dimethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
CID 62543272
1-(3-Oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
CID 62543429
6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 82509419
4-Methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 114217405
2-Amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
CID 130485199
N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
CID 130485295

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one?
The IUPAC name of 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one (CID 114217404) is 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one is Cc1ccn(CCC(=O)N2CCNCC2)c(=O)n1.
What is the InChIKey of 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one?
The InChIKey is MPIYTJKLBVENNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10-2-6-16(12(18)14-10)7-3-11(17)15-8-4-13-5-9-15/h2,6,13H,3-5,7-9H2,1H3.
What are the key properties of 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one?
4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one has a molecular weight of 250.30 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one is sourced from PubChem (CID 114217404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).