(5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine

C11H13N3 — CID 142159911

IUPAC(5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine
SMILESC=C/C=c1/c(N)ncn/c1=C/C=C\C
InChIInChI=1S/C11H13N3/c1-3-5-7-10-9(6-4-2)11(12)14-8-13-10/h3-8H,2H2,1H3,(H2,12,13,14)/b5-3-,9-6+,10-7+
InChIKeyXCAVVHKGVCUBOO-TVAZVOFESA-N
MW187.25 g/mol
LogP0.38
Rot. Bonds2

About (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine

(5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine (PubChem CID 142159911) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine.

Molecular Properties

Compound Name(5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine
PubChem CID142159911
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine
SMILESC=C/C=c1/c(N)ncn/c1=C/C=C\C
InChIInChI=1S/C11H13N3/c1-3-5-7-10-9(6-4-2)11(12)14-8-13-10/h3-8H,2H2,1H3,(H2,12,13,14)/b5-3-,9-6+,10-7+
InChIKeyXCAVVHKGVCUBOO-TVAZVOFESA-N
XLogP0.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7H-imidazo[4,5-c]quinolin-4-amine
CID 69189031
6,6-Dimethylcyclohepta[d]pyrimidine
CID 70316666
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
6-methyl-6H-cyclohepta[d]pyrimidine
CID 89129896
(4E,5E)-4,5-di(ethylidene)pyrimidine
CID 89264943
(5E)-5-[(Z)-but-2-enylidene]-4-propan-2-ylidenepyrimidine
CID 89385025
5-Ethylidene-4-(2-methylbut-2-enylidene)pyrimidine
CID 90709637
3-Methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium
CID 90857939
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
6H-cyclopenta[d]pyrimidin-4-amine
CID 91257235
(4E,5E)-4-ethylidene-5-prop-2-enylidenepyrimidine
CID 117650593
N-[(5E)-5,6-di(ethylidene)pyrimidin-4-yl]pent-1-en-3-imine
CID 123454928

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine?
The IUPAC name of (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine (CID 142159911) is (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine.
What is the SMILES notation for (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine?
The canonical SMILES for (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine is C=C/C=c1/c(N)ncn/c1=C/C=C\C.
What is the InChIKey of (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine?
The InChIKey is XCAVVHKGVCUBOO-TVAZVOFESA-N. The full InChI is InChI=1S/C11H13N3/c1-3-5-7-10-9(6-4-2)11(12)14-8-13-10/h3-8H,2H2,1H3,(H2,12,13,14)/b5-3-,9-6+,10-7+.
What are the key properties of (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine?
(5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine has a molecular weight of 187.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine is sourced from PubChem (CID 142159911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).