5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

C12H18N2O2 — CID 135996599

IUPAC5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-3-10-8(2)13-11(14-12(10)15)7-9-5-4-6-16-9/h9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVPVKYYPBPIRRRB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds3

About 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135996599) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135996599
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-3-10-8(2)13-11(14-12(10)15)7-9-5-4-6-16-9/h9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVPVKYYPBPIRRRB-UHFFFAOYSA-N
XLogP1.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (CID 135996599) is 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is CCc1c(C)nc(CC2CCCO2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is VPVKYYPBPIRRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-10-8(2)13-11(14-12(10)15)7-9-5-4-6-16-9/h9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135996599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).