2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane

C15H28N2 — CID 143730738

IUPAC2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane
SMILESCC.CCN1CCCN=C1CCC1=C(C)C1C
InChIInChI=1S/C13H22N2.C2H6/c1-4-15-9-5-8-14-13(15)7-6-12-10(2)11(12)3;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyAPZANLCZUHEWLG-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.88
Rot. Bonds4

About 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane

2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane (PubChem CID 143730738) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane.

Molecular Properties

Compound Name2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane
PubChem CID143730738
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane
SMILESCC.CCN1CCCN=C1CCC1=C(C)C1C
InChIInChI=1S/C13H22N2.C2H6/c1-4-15-9-5-8-14-13(15)7-6-12-10(2)11(12)3;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyAPZANLCZUHEWLG-UHFFFAOYSA-N
XLogP3.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane?
The IUPAC name of 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane (CID 143730738) is 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane.
What is the SMILES notation for 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane?
The canonical SMILES for 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane is CC.CCN1CCCN=C1CCC1=C(C)C1C.
What is the InChIKey of 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane?
The InChIKey is APZANLCZUHEWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-4-15-9-5-8-14-13(15)7-6-12-10(2)11(12)3;1-2/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane?
2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane has a molecular weight of 236.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane is sourced from PubChem (CID 143730738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).