ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine

C11H18N2O — CID 172584042

IUPACethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCC.CCc1nc(C)c2c(n1)OCC2
InChIInChI=1S/C9H12N2O.C2H6/c1-3-8-10-6(2)7-4-5-12-9(7)11-8;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyOZBZFLDSNCVVQG-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.31
Rot. Bonds1

About ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine

ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 172584042) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID172584042
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCC.CCc1nc(C)c2c(n1)OCC2
InChIInChI=1S/C9H12N2O.C2H6/c1-3-8-10-6(2)7-4-5-12-9(7)11-8;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyOZBZFLDSNCVVQG-UHFFFAOYSA-N
XLogP2.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine (CID 172584042) is ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine is CC.CCc1nc(C)c2c(n1)OCC2.
What is the InChIKey of ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is OZBZFLDSNCVVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-3-8-10-6(2)7-4-5-12-9(7)11-8;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine?
ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 194.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 172584042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).