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

C13H22N2 — CID 143730739

IUPAC2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine
SMILESCCN1CCCN=C1CCC1=C(C)C1C
InChIInChI=1S/C13H22N2/c1-4-15-9-5-8-14-13(15)7-6-12-10(2)11(12)3/h10H,4-9H2,1-3H3
InChIKeyWJRHBXAGZLDTMZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.86
Rot. Bonds4

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

2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine (PubChem CID 143730739) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine
PubChem CID143730739
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine
SMILESCCN1CCCN=C1CCC1=C(C)C1C
InChIInChI=1S/C13H22N2/c1-4-15-9-5-8-14-13(15)7-6-12-10(2)11(12)3/h10H,4-9H2,1-3H3
InChIKeyWJRHBXAGZLDTMZ-UHFFFAOYSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.86
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?
The IUPAC name of 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine (CID 143730739) is 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine is 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?
The InChIKey is WJRHBXAGZLDTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15-9-5-8-14-13(15)7-6-12-10(2)11(12)3/h10H,4-9H2,1-3H3.
What are the key properties of 2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine?
2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 206.33 g/mol, XLogP of 2.86, 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 is sourced from PubChem (CID 143730739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).