3-ethyl-2-methoxy-6-methylpyrimidin-4-one

C8H12N2O2 — CID 15423006

IUPAC3-ethyl-2-methoxy-6-methylpyrimidin-4-one
SMILESCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C8H12N2O2/c1-4-10-7(11)5-6(2)9-8(10)12-3/h5H,4H2,1-3H3
InChIKeyMBLNFAJROVYMNR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.58
Rot. Bonds2

About 3-ethyl-2-methoxy-6-methylpyrimidin-4-one

3-ethyl-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 15423006) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-ethyl-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-methoxy-6-methylpyrimidin-4-one
PubChem CID15423006
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-ethyl-2-methoxy-6-methylpyrimidin-4-one
SMILESCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C8H12N2O2/c1-4-10-7(11)5-6(2)9-8(10)12-3/h5H,4H2,1-3H3
InChIKeyMBLNFAJROVYMNR-UHFFFAOYSA-N
XLogP0.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-ethyl-2-methoxy-6-methylpyrimidin-4-one (CID 15423006) is 3-ethyl-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-methoxy-6-methylpyrimidin-4-one is CCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 3-ethyl-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is MBLNFAJROVYMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-10-7(11)5-6(2)9-8(10)12-3/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-2-methoxy-6-methylpyrimidin-4-one?
3-ethyl-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 15423006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).