4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C15H23N5O2 — CID 137082068

IUPAC4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C15H23N5O2/c1-12-10-13(21)17-15(16-12)20-8-6-18(7-9-20)11-14(22)19-4-2-3-5-19/h10H,2-9,11H2,1H3,(H,16,17,21)
InChIKeyBWHRCXUGYOBFAO-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.18
Rot. Bonds3

About 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137082068) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137082068
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C15H23N5O2/c1-12-10-13(21)17-15(16-12)20-8-6-18(7-9-20)11-14(22)19-4-2-3-5-19/h10H,2-9,11H2,1H3,(H,16,17,21)
InChIKeyBWHRCXUGYOBFAO-UHFFFAOYSA-N
XLogP-0.18
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137082068) is 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCCC3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BWHRCXUGYOBFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-12-10-13(21)17-15(16-12)20-8-6-18(7-9-20)11-14(22)19-4-2-3-5-19/h10H,2-9,11H2,1H3,(H,16,17,21).
What are the key properties of 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 305.38 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137082068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).