4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one

C9H12N4O2 — CID 136957923

IUPAC4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2cc(=O)[nH]cn2)CC1=O
InChIInChI=1S/C9H12N4O2/c1-12-2-3-13(5-9(12)15)7-4-8(14)11-6-10-7/h4,6H,2-3,5H2,1H3,(H,10,11,14)
InChIKeyYNMVRTOAURVFJS-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.95
Rot. Bonds1

About 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one

4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957923) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957923
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2cc(=O)[nH]cn2)CC1=O
InChIInChI=1S/C9H12N4O2/c1-12-2-3-13(5-9(12)15)7-4-8(14)11-6-10-7/h4,6H,2-3,5H2,1H3,(H,10,11,14)
InChIKeyYNMVRTOAURVFJS-UHFFFAOYSA-N
XLogP-0.95
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one (CID 136957923) is 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2cc(=O)[nH]cn2)CC1=O.
What is the InChIKey of 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is YNMVRTOAURVFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-12-2-3-13(5-9(12)15)7-4-8(14)11-6-10-7/h4,6H,2-3,5H2,1H3,(H,10,11,14).
What are the key properties of 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one?
4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 208.22 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).