5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine

C16H22N4 — CID 123864881

IUPAC5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
SMILESC=c1nc(N)nc(N)c1=CC(C)=C(C)C(C=CC)=CC
InChIInChI=1S/C16H22N4/c1-6-8-13(7-2)11(4)10(3)9-14-12(5)19-16(18)20-15(14)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChIKeyAPVGMVJCUYUHFR-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.69
Rot. Bonds3

About 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine

5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine (PubChem CID 123864881) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
PubChem CID123864881
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
SMILESC=c1nc(N)nc(N)c1=CC(C)=C(C)C(C=CC)=CC
InChIInChI=1S/C16H22N4/c1-6-8-13(7-2)11(4)10(3)9-14-12(5)19-16(18)20-15(14)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChIKeyAPVGMVJCUYUHFR-UHFFFAOYSA-N
XLogP1.69
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3E)-5-fluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]-2-methylprop-2-enimidamide
CID 164867167
2-[(1-amino-1-cyclohexa-1,5-dien-1-ylimino-2-methylpropan-2-yl)diazenyl]-N'-cyclohexa-1,5-dien-1-yl-2-methylpropanimidamide
CID 67130283
3-(1-Aminoethenyl)-6,7-dihydroquinolin-2-amine
CID 130421119
3-Ethenyl-6,7-dihydroquinolin-2-amine
CID 130421228
(5Z,6E)-5,6-di(ethylidene)pyridin-2-amine
CID 130466666
(5E,6E)-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
CID 132097819
(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine
CID 134443369
N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
CID 134444275
(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridin-2-amine
CID 134444287
N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
CID 134444323
(3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine
CID 138526010
(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrimidin-4-amine
CID 138747413

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine?
The IUPAC name of 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine (CID 123864881) is 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine is C=c1nc(N)nc(N)c1=CC(C)=C(C)C(C=CC)=CC.
What is the InChIKey of 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine?
The InChIKey is APVGMVJCUYUHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-6-8-13(7-2)11(4)10(3)9-14-12(5)19-16(18)20-15(14)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20).
What are the key properties of 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine?
5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine is sourced from PubChem (CID 123864881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).