6-ethyl-2-ethynyl-1,4-dihydropyrimidine

C8H10N2 — CID 91033465

IUPAC6-ethyl-2-ethynyl-1,4-dihydropyrimidine
SMILESC#CC1=NCC=C(CC)N1
InChIInChI=1S/C8H10N2/c1-3-7-5-6-9-8(4-2)10-7/h2,5H,3,6H2,1H3,(H,9,10)
InChIKeyOAYLJIKXEGMXRS-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.92
Rot. Bonds1

About 6-ethyl-2-ethynyl-1,4-dihydropyrimidine

6-ethyl-2-ethynyl-1,4-dihydropyrimidine (PubChem CID 91033465) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 6-ethyl-2-ethynyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-ethyl-2-ethynyl-1,4-dihydropyrimidine
PubChem CID91033465
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name6-ethyl-2-ethynyl-1,4-dihydropyrimidine
SMILESC#CC1=NCC=C(CC)N1
InChIInChI=1S/C8H10N2/c1-3-7-5-6-9-8(4-2)10-7/h2,5H,3,6H2,1H3,(H,9,10)
InChIKeyOAYLJIKXEGMXRS-UHFFFAOYSA-N
XLogP0.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Trimethyl-1,4-dihydropyrimidine
CID 68611629
N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide
CID 139497311
2,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 167420555
6-But-2-en-2-yl-2-methyl-1,4-dihydropyrimidine
CID 59890255
(4S)-2,4,6-trimethyl-1,4-dihydropyrimidine
CID 159622763

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-ethynyl-1,4-dihydropyrimidine?
The IUPAC name of 6-ethyl-2-ethynyl-1,4-dihydropyrimidine (CID 91033465) is 6-ethyl-2-ethynyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-ethyl-2-ethynyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-ethyl-2-ethynyl-1,4-dihydropyrimidine is C#CC1=NCC=C(CC)N1.
What is the InChIKey of 6-ethyl-2-ethynyl-1,4-dihydropyrimidine?
The InChIKey is OAYLJIKXEGMXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-7-5-6-9-8(4-2)10-7/h2,5H,3,6H2,1H3,(H,9,10).
What are the key properties of 6-ethyl-2-ethynyl-1,4-dihydropyrimidine?
6-ethyl-2-ethynyl-1,4-dihydropyrimidine has a molecular weight of 134.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-ethynyl-1,4-dihydropyrimidine is sourced from PubChem (CID 91033465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).