5-ethyl-2-methoxy-1,4-dihydropyrimidine

C7H12N2O — CID 89129972

IUPAC5-ethyl-2-methoxy-1,4-dihydropyrimidine
SMILESCCC1=CNC(OC)=NC1
InChIInChI=1S/C7H12N2O/c1-3-6-4-8-7(10-2)9-5-6/h4H,3,5H2,1-2H3,(H,8,9)
InChIKeyNNOAEQWOCRFZCD-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.89
Rot. Bonds1

About 5-ethyl-2-methoxy-1,4-dihydropyrimidine

5-ethyl-2-methoxy-1,4-dihydropyrimidine (PubChem CID 89129972) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-ethyl-2-methoxy-1,4-dihydropyrimidine
PubChem CID89129972
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-ethyl-2-methoxy-1,4-dihydropyrimidine
SMILESCCC1=CNC(OC)=NC1
InChIInChI=1S/C7H12N2O/c1-3-6-4-8-7(10-2)9-5-6/h4H,3,5H2,1-2H3,(H,8,9)
InChIKeyNNOAEQWOCRFZCD-UHFFFAOYSA-N
XLogP0.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-1,4-dihydropyrimidine?
The IUPAC name of 5-ethyl-2-methoxy-1,4-dihydropyrimidine (CID 89129972) is 5-ethyl-2-methoxy-1,4-dihydropyrimidine.
What is the SMILES notation for 5-ethyl-2-methoxy-1,4-dihydropyrimidine?
The canonical SMILES for 5-ethyl-2-methoxy-1,4-dihydropyrimidine is CCC1=CNC(OC)=NC1.
What is the InChIKey of 5-ethyl-2-methoxy-1,4-dihydropyrimidine?
The InChIKey is NNOAEQWOCRFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6-4-8-7(10-2)9-5-6/h4H,3,5H2,1-2H3,(H,8,9).
What are the key properties of 5-ethyl-2-methoxy-1,4-dihydropyrimidine?
5-ethyl-2-methoxy-1,4-dihydropyrimidine has a molecular weight of 140.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-1,4-dihydropyrimidine is sourced from PubChem (CID 89129972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).