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

C7H12N2 — CID 90784051

IUPAC5-ethyl-2-methyl-1,4-dihydropyrimidine
SMILESCCC1=CNC(C)=NC1
InChIInChI=1S/C7H12N2/c1-3-7-4-8-6(2)9-5-7/h4H,3,5H2,1-2H3,(H,8,9)
InChIKeyKDBCOGXXVPNBKJ-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds1

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

5-ethyl-2-methyl-1,4-dihydropyrimidine (PubChem CID 90784051) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-ethyl-2-methyl-1,4-dihydropyrimidine
PubChem CID90784051
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-ethyl-2-methyl-1,4-dihydropyrimidine
SMILESCCC1=CNC(C)=NC1
InChIInChI=1S/C7H12N2/c1-3-7-4-8-6(2)9-5-7/h4H,3,5H2,1-2H3,(H,8,9)
InChIKeyKDBCOGXXVPNBKJ-UHFFFAOYSA-N
XLogP1.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-methyl-1,4-dihydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1,4-dihydropyrimidine?
The IUPAC name of 5-ethyl-2-methyl-1,4-dihydropyrimidine (CID 90784051) is 5-ethyl-2-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-ethyl-2-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-ethyl-2-methyl-1,4-dihydropyrimidine is CCC1=CNC(C)=NC1.
What is the InChIKey of 5-ethyl-2-methyl-1,4-dihydropyrimidine?
The InChIKey is KDBCOGXXVPNBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7-4-8-6(2)9-5-7/h4H,3,5H2,1-2H3,(H,8,9).
What are the key properties of 5-ethyl-2-methyl-1,4-dihydropyrimidine?
5-ethyl-2-methyl-1,4-dihydropyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 90784051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).