5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one

C8H12N2O3 — CID 45117370

IUPAC5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one
SMILESCCc1c(OC)nc(=O)[nH]c1OC
InChIInChI=1S/C8H12N2O3/c1-4-5-6(12-2)9-8(11)10-7(5)13-3/h4H2,1-3H3,(H,9,10,11)
InChIKeyRENGYVTXCUBFKQ-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.35
Rot. Bonds3

About 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one

5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one (PubChem CID 45117370) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one
PubChem CID45117370
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one
SMILESCCc1c(OC)nc(=O)[nH]c1OC
InChIInChI=1S/C8H12N2O3/c1-4-5-6(12-2)9-8(11)10-7(5)13-3/h4H2,1-3H3,(H,9,10,11)
InChIKeyRENGYVTXCUBFKQ-UHFFFAOYSA-N
XLogP0.35
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one?
The IUPAC name of 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one (CID 45117370) is 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one?
The canonical SMILES for 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one is CCc1c(OC)nc(=O)[nH]c1OC.
What is the InChIKey of 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one?
The InChIKey is RENGYVTXCUBFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-5-6(12-2)9-8(11)10-7(5)13-3/h4H2,1-3H3,(H,9,10,11).
What are the key properties of 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one?
5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one has a molecular weight of 184.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 45117370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).