4,5-diethyl-1,4-dihydropyrimidine

C8H14N2 — CID 137444866

IUPAC4,5-diethyl-1,4-dihydropyrimidine
SMILESCCC1=CNC=NC1CC
InChIInChI=1S/C8H14N2/c1-3-7-5-9-6-10-8(7)4-2/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyMSBGQLSZSSLNQU-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.69
Rot. Bonds2

About 4,5-diethyl-1,4-dihydropyrimidine

4,5-diethyl-1,4-dihydropyrimidine (PubChem CID 137444866) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,5-diethyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4,5-diethyl-1,4-dihydropyrimidine
PubChem CID137444866
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4,5-diethyl-1,4-dihydropyrimidine
SMILESCCC1=CNC=NC1CC
InChIInChI=1S/C8H14N2/c1-3-7-5-9-6-10-8(7)4-2/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyMSBGQLSZSSLNQU-UHFFFAOYSA-N
XLogP1.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,4-dihydropyrimidine?
The IUPAC name of 4,5-diethyl-1,4-dihydropyrimidine (CID 137444866) is 4,5-diethyl-1,4-dihydropyrimidine.
What is the SMILES notation for 4,5-diethyl-1,4-dihydropyrimidine?
The canonical SMILES for 4,5-diethyl-1,4-dihydropyrimidine is CCC1=CNC=NC1CC.
What is the InChIKey of 4,5-diethyl-1,4-dihydropyrimidine?
The InChIKey is MSBGQLSZSSLNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7-5-9-6-10-8(7)4-2/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4,5-diethyl-1,4-dihydropyrimidine?
4,5-diethyl-1,4-dihydropyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,4-dihydropyrimidine is sourced from PubChem (CID 137444866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).