(6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine

C10H15N3 — CID 169185607

IUPAC(6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine
SMILESC/C=C1/N=CN=C(CC)/C1=N\CC
InChIInChI=1S/C10H15N3/c1-4-8-10(11-6-3)9(5-2)13-7-12-8/h4,7H,5-6H2,1-3H3/b8-4+,11-10-
InChIKeyKDDHTHCARWTUIA-CZEHHVHDSA-N
MW177.25 g/mol
LogP2.24
Rot. Bonds2

About (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine

(6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine (PubChem CID 169185607) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine.

Molecular Properties

Compound Name(6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine
PubChem CID169185607
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine
SMILESC/C=C1/N=CN=C(CC)/C1=N\CC
InChIInChI=1S/C10H15N3/c1-4-8-10(11-6-3)9(5-2)13-7-12-8/h4,7H,5-6H2,1-3H3/b8-4+,11-10-
InChIKeyKDDHTHCARWTUIA-CZEHHVHDSA-N
XLogP2.24
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine?
The IUPAC name of (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine (CID 169185607) is (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine.
What is the SMILES notation for (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine?
The canonical SMILES for (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine is C/C=C1/N=CN=C(CC)/C1=N\CC.
What is the InChIKey of (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine?
The InChIKey is KDDHTHCARWTUIA-CZEHHVHDSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-8-10(11-6-3)9(5-2)13-7-12-8/h4,7H,5-6H2,1-3H3/b8-4+,11-10-.
What are the key properties of (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine?
(6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine has a molecular weight of 177.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-N,4-diethyl-6-ethylidenepyrimidin-5-imine is sourced from PubChem (CID 169185607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).