2-ethyl-5-methyl-1H-pyrimidin-6-one

C7H10N2O — CID 18360616

IUPAC2-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-3-6-8-4-5(2)7(10)9-6/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyVPLWQGMFSSWEIA-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.64
Rot. Bonds1

About 2-ethyl-5-methyl-1H-pyrimidin-6-one

2-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 18360616) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID18360616
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-3-6-8-4-5(2)7(10)9-6/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyVPLWQGMFSSWEIA-UHFFFAOYSA-N
XLogP0.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-methyl-1H-pyrimidin-6-one (CID 18360616) is 2-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-methyl-1H-pyrimidin-6-one is CCc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is VPLWQGMFSSWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-6-8-4-5(2)7(10)9-6/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 2-ethyl-5-methyl-1H-pyrimidin-6-one?
2-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 138.17 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 18360616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).