4-ethyl-1,4-dihydropyrimidine

C6H10N2 — CID 123862023

IUPAC4-ethyl-1,4-dihydropyrimidine
SMILESCCC1C=CNC=N1
InChIInChI=1S/C6H10N2/c1-2-6-3-4-7-5-8-6/h3-6H,2H2,1H3,(H,7,8)
InChIKeyIVVAAWVTIJBGHZ-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.91
Rot. Bonds1

About 4-ethyl-1,4-dihydropyrimidine

4-ethyl-1,4-dihydropyrimidine (PubChem CID 123862023) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-ethyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-ethyl-1,4-dihydropyrimidine
PubChem CID123862023
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4-ethyl-1,4-dihydropyrimidine
SMILESCCC1C=CNC=N1
InChIInChI=1S/C6H10N2/c1-2-6-3-4-7-5-8-6/h3-6H,2H2,1H3,(H,7,8)
InChIKeyIVVAAWVTIJBGHZ-UHFFFAOYSA-N
XLogP0.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-dihydropyrimidine?
The IUPAC name of 4-ethyl-1,4-dihydropyrimidine (CID 123862023) is 4-ethyl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-ethyl-1,4-dihydropyrimidine?
The canonical SMILES for 4-ethyl-1,4-dihydropyrimidine is CCC1C=CNC=N1.
What is the InChIKey of 4-ethyl-1,4-dihydropyrimidine?
The InChIKey is IVVAAWVTIJBGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-6-3-4-7-5-8-6/h3-6H,2H2,1H3,(H,7,8).
What are the key properties of 4-ethyl-1,4-dihydropyrimidine?
4-ethyl-1,4-dihydropyrimidine has a molecular weight of 110.16 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-dihydropyrimidine is sourced from PubChem (CID 123862023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).