4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one

C12H16N4O3 — CID 60693479

IUPAC4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H16N4O3/c1-7-9(8(2)15-12(19)14-7)5-11(18)16-4-3-13-10(17)6-16/h3-6H2,1-2H3,(H,13,17)(H,14,15,19)
InChIKeyITFKZVHIGBKRRZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.11
Rot. Bonds2

About 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one

4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one (PubChem CID 60693479) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one
PubChem CID60693479
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H16N4O3/c1-7-9(8(2)15-12(19)14-7)5-11(18)16-4-3-13-10(17)6-16/h3-6H2,1-2H3,(H,13,17)(H,14,15,19)
InChIKeyITFKZVHIGBKRRZ-UHFFFAOYSA-N
XLogP-1.11
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one (CID 60693479) is 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one?
The InChIKey is ITFKZVHIGBKRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7-9(8(2)15-12(19)14-7)5-11(18)16-4-3-13-10(17)6-16/h3-6H2,1-2H3,(H,13,17)(H,14,15,19).
What are the key properties of 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one?
4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one has a molecular weight of 264.28 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 60693479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).