(5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane

C11H18N2 — CID 143195755

IUPAC(5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane
SMILESC.C/C=C\C=C1\C=NCN\C1=C\C
InChIInChI=1S/C10H14N2.CH4/c1-3-5-6-9-7-11-8-12-10(9)4-2;/h3-7,12H,8H2,1-2H3;1H4/b5-3-,9-6-,10-4+;
InChIKeyRHBWJJBYWGUFJY-ZQYPCSLDSA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds1

About (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane

(5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane (PubChem CID 143195755) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane.

Molecular Properties

Compound Name(5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane
PubChem CID143195755
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane
SMILESC.C/C=C\C=C1\C=NCN\C1=C\C
InChIInChI=1S/C10H14N2.CH4/c1-3-5-6-9-7-11-8-12-10(9)4-2;/h3-7,12H,8H2,1-2H3;1H4/b5-3-,9-6-,10-4+;
InChIKeyRHBWJJBYWGUFJY-ZQYPCSLDSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-[(2E)-5-methyl-2-prop-2-enylidene-3-pyridinylidene]methanamine
CID 88563059
(E)-[(3Z)-5-methyl-3-prop-2-enylidene-2-pyridinylidene]methanamine
CID 89263427
N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine
CID 90782623
2-butan-2-ylidene-3-ethylidene-N-methylpyridin-4-amine
CID 91502715
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
Methyl-[(3-methyl-1,2-dihydropyridin-4-yl)methylidene]-prop-1-en-2-ylazanium
CID 123143010
5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine
CID 124191614
(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
CID 126583286
N-methyl-N'-[(6Z)-6-[(methylideneamino)methylidene]-3-pyrazol-4-ylidenecyclohexa-1,4-dien-1-yl]methanediamine
CID 129273216
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
CID 130343762
(6Z)-5-methylidene-6-propylidene-1,2-dihydropyrimidine
CID 130389549
(2E,4E,6Z)-3-methanimidoyl-N-methylocta-2,4,6-trien-4-amine
CID 132064933

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane?
The IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane (CID 143195755) is (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane.
What is the SMILES notation for (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane?
The canonical SMILES for (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane is C.C/C=C\C=C1\C=NCN\C1=C\C.
What is the InChIKey of (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane?
The InChIKey is RHBWJJBYWGUFJY-ZQYPCSLDSA-N. The full InChI is InChI=1S/C10H14N2.CH4/c1-3-5-6-9-7-11-8-12-10(9)4-2;/h3-7,12H,8H2,1-2H3;1H4/b5-3-,9-6-,10-4+;.
What are the key properties of (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane?
(5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane has a molecular weight of 178.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane is sourced from PubChem (CID 143195755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).