(5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine

C18H22N4 — CID 155120315

IUPAC(5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine
SMILESC=C/C=C1/C(N2CCCC(C=C)=C2/C=C\C)=NC=N/C1=N\C
InChIInChI=1S/C18H22N4/c1-5-9-15-17(19-4)20-13-21-18(15)22-12-8-11-14(7-3)16(22)10-6-2/h5-7,9-10,13H,1,3,8,11-12H2,2,4H3/b10-6-,15-9+,19-17-
InChIKeyMJLDAUFJHADUIJ-RHBUSLBPSA-N
MW294.40 g/mol
LogP3.68
Rot. Bonds3

About (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine

(5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine (PubChem CID 155120315) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine.

Molecular Properties

Compound Name(5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine
PubChem CID155120315
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name(5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine
SMILESC=C/C=C1/C(N2CCCC(C=C)=C2/C=C\C)=NC=N/C1=N\C
InChIInChI=1S/C18H22N4/c1-5-9-15-17(19-4)20-13-21-18(15)22-12-8-11-14(7-3)16(22)10-6-2/h5-7,9-10,13H,1,3,8,11-12H2,2,4H3/b10-6-,15-9+,19-17-
InChIKeyMJLDAUFJHADUIJ-RHBUSLBPSA-N
XLogP3.68
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.68
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 (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine?
The IUPAC name of (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine (CID 155120315) is (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine.
What is the SMILES notation for (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine?
The canonical SMILES for (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine is C=C/C=C1/C(N2CCCC(C=C)=C2/C=C\C)=NC=N/C1=N\C.
What is the InChIKey of (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine?
The InChIKey is MJLDAUFJHADUIJ-RHBUSLBPSA-N. The full InChI is InChI=1S/C18H22N4/c1-5-9-15-17(19-4)20-13-21-18(15)22-12-8-11-14(7-3)16(22)10-6-2/h5-7,9-10,13H,1,3,8,11-12H2,2,4H3/b10-6-,15-9+,19-17-.
What are the key properties of (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine?
(5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine has a molecular weight of 294.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine is sourced from PubChem (CID 155120315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).