5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine

C12H18N2 — CID 156519384

IUPAC5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine
SMILESCCC1=C(CC=C2CC2)CN=CN1C
InChIInChI=1S/C12H18N2/c1-3-12-11(7-6-10-4-5-10)8-13-9-14(12)2/h6,9H,3-5,7-8H2,1-2H3
InChIKeyKAIKKXKUZYNPAS-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.73
Rot. Bonds3

About 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine

5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine (PubChem CID 156519384) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine.

Molecular Properties

Compound Name5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine
PubChem CID156519384
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine
SMILESCCC1=C(CC=C2CC2)CN=CN1C
InChIInChI=1S/C12H18N2/c1-3-12-11(7-6-10-4-5-10)8-13-9-14(12)2/h6,9H,3-5,7-8H2,1-2H3
InChIKeyKAIKKXKUZYNPAS-UHFFFAOYSA-N
XLogP2.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.73
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 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine?
The IUPAC name of 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine (CID 156519384) is 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine.
What is the SMILES notation for 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine?
The canonical SMILES for 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine is CCC1=C(CC=C2CC2)CN=CN1C.
What is the InChIKey of 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine?
The InChIKey is KAIKKXKUZYNPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-12-11(7-6-10-4-5-10)8-13-9-14(12)2/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine?
5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine has a molecular weight of 190.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylideneethyl)-6-ethyl-1-methyl-4H-pyrimidine is sourced from PubChem (CID 156519384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).