2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one

C16H22N4O3 — CID 136548600

IUPAC2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H22N4O3/c1-9(2)7-12-15(22)17-5-6-20(12)16(23)11-8-13(21)19-14(18-11)10-3-4-10/h8-10,12H,3-7H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyVILPVHXQLODFGH-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.63
Rot. Bonds4

About 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 136548600) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID136548600
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H22N4O3/c1-9(2)7-12-15(22)17-5-6-20(12)16(23)11-8-13(21)19-14(18-11)10-3-4-10/h8-10,12H,3-7H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyVILPVHXQLODFGH-UHFFFAOYSA-N
XLogP0.63
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 136548600) is 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one is CC(C)CC1C(=O)NCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is VILPVHXQLODFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-9(2)7-12-15(22)17-5-6-20(12)16(23)11-8-13(21)19-14(18-11)10-3-4-10/h8-10,12H,3-7H2,1-2H3,(H,17,22)(H,18,19,21).
What are the key properties of 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 318.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136548600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).