(E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine

C9H8N4 — CID 159027564

IUPAC(E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine
SMILESN/C=C/c1ncnc2c1CC#CN2
InChIInChI=1S/C9H8N4/c10-4-3-8-7-2-1-5-11-9(7)13-6-12-8/h3-4,6H,2,10H2,(H,11,12,13)/b4-3+
InChIKeyJULVWCXZEOGSKT-ONEGZZNKSA-N
MW172.19 g/mol
LogP0.33
Rot. Bonds1

About (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine

(E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine (PubChem CID 159027564) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine.

Molecular Properties

Compound Name(E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine
PubChem CID159027564
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name(E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine
SMILESN/C=C/c1ncnc2c1CC#CN2
InChIInChI=1S/C9H8N4/c10-4-3-8-7-2-1-5-11-9(7)13-6-12-8/h3-4,6H,2,10H2,(H,11,12,13)/b4-3+
InChIKeyJULVWCXZEOGSKT-ONEGZZNKSA-N
XLogP0.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine?
The IUPAC name of (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine (CID 159027564) is (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine.
What is the SMILES notation for (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine?
The canonical SMILES for (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine is N/C=C/c1ncnc2c1CC#CN2.
What is the InChIKey of (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine?
The InChIKey is JULVWCXZEOGSKT-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H8N4/c10-4-3-8-7-2-1-5-11-9(7)13-6-12-8/h3-4,6H,2,10H2,(H,11,12,13)/b4-3+.
What are the key properties of (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine?
(E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine has a molecular weight of 172.19 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(6,7-didehydro-5,8-dihydropyrido[2,3-d]pyrimidin-4-yl)ethenamine is sourced from PubChem (CID 159027564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).