4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one

C9H10N4O3 — CID 137147423

IUPAC4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C1CN(C(=O)c2cc(=O)[nH]cn2)CCN1
InChIInChI=1S/C9H10N4O3/c14-7-3-6(11-5-12-7)9(16)13-2-1-10-8(15)4-13/h3,5H,1-2,4H2,(H,10,15)(H,11,12,14)
InChIKeyDFBYQRDUMAACSJ-UHFFFAOYSA-N
MW222.20 g/mol
LogP-1.66
Rot. Bonds1

About 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one

4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 137147423) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID137147423
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C1CN(C(=O)c2cc(=O)[nH]cn2)CCN1
InChIInChI=1S/C9H10N4O3/c14-7-3-6(11-5-12-7)9(16)13-2-1-10-8(15)4-13/h3,5H,1-2,4H2,(H,10,15)(H,11,12,14)
InChIKeyDFBYQRDUMAACSJ-UHFFFAOYSA-N
XLogP-1.66
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 137147423) is 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one is O=C1CN(C(=O)c2cc(=O)[nH]cn2)CCN1.
What is the InChIKey of 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is DFBYQRDUMAACSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c14-7-3-6(11-5-12-7)9(16)13-2-1-10-8(15)4-13/h3,5H,1-2,4H2,(H,10,15)(H,11,12,14).
What are the key properties of 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one?
4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 222.20 g/mol, XLogP of -1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137147423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).