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

C11H14N4O2 — CID 137008995

IUPAC2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CN(c2cc(=O)[nH]c(C3CC3)n2)CCN1
InChIInChI=1S/C11H14N4O2/c16-9-5-8(13-11(14-9)7-1-2-7)15-4-3-12-10(17)6-15/h5,7H,1-4,6H2,(H,12,17)(H,13,14,16)
InChIKeyURDXGBVXOKBRON-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.42
Rot. Bonds2

About 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137008995) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID137008995
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CN(c2cc(=O)[nH]c(C3CC3)n2)CCN1
InChIInChI=1S/C11H14N4O2/c16-9-5-8(13-11(14-9)7-1-2-7)15-4-3-12-10(17)6-15/h5,7H,1-4,6H2,(H,12,17)(H,13,14,16)
InChIKeyURDXGBVXOKBRON-UHFFFAOYSA-N
XLogP-0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one (CID 137008995) is 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one is O=C1CN(c2cc(=O)[nH]c(C3CC3)n2)CCN1.
What is the InChIKey of 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is URDXGBVXOKBRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-9-5-8(13-11(14-9)7-1-2-7)15-4-3-12-10(17)6-15/h5,7H,1-4,6H2,(H,12,17)(H,13,14,16).
What are the key properties of 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 234.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137008995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).