2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one

C8H12N2O2 — CID 135631206

IUPAC2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1nc(COC)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-7-9-6(5-12-2)4-8(11)10-7/h4H,3,5H2,1-2H3,(H,9,10,11)
InChIKeyODXGQSILPWXYKZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.48
Rot. Bonds3

About 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one

2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135631206) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID135631206
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1nc(COC)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-7-9-6(5-12-2)4-8(11)10-7/h4H,3,5H2,1-2H3,(H,9,10,11)
InChIKeyODXGQSILPWXYKZ-UHFFFAOYSA-N
XLogP0.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 135631206) is 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one is CCc1nc(COC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is ODXGQSILPWXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-7-9-6(5-12-2)4-8(11)10-7/h4H,3,5H2,1-2H3,(H,9,10,11).
What are the key properties of 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135631206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).