(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine

C11H16N2 — CID 170151635

IUPAC(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine
SMILESC/C=C\C=C1\N=CN(C)C\C1=C\C
InChIInChI=1S/C11H16N2/c1-4-6-7-11-10(5-2)8-13(3)9-12-11/h4-7,9H,8H2,1-3H3/b6-4-,10-5-,11-7+
InChIKeyZQTXXLGMLRBWER-ULIAIXMASA-N
MW176.26 g/mol
LogP2.37
Rot. Bonds1

About (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine

(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine (PubChem CID 170151635) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine.

Molecular Properties

Compound Name(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine
PubChem CID170151635
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine
SMILESC/C=C\C=C1\N=CN(C)C\C1=C\C
InChIInChI=1S/C11H16N2/c1-4-6-7-11-10(5-2)8-13(3)9-12-11/h4-7,9H,8H2,1-3H3/b6-4-,10-5-,11-7+
InChIKeyZQTXXLGMLRBWER-ULIAIXMASA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-N'-[(2E,4E)-4-(trifluoromethyl)octa-2,4,7-trien-2-yl]methanimidamide
CID 146359505
N'-(3-fluorobuta-1,3-dien-2-yl)-N-[(3Z)-hexa-3,5-dienyl]-N-methylmethanimidamide
CID 156447090
N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
CID 67633893
7,8-Dimethyl-1,3-diazabicyclo[4.2.0]octa-2,4,6-triene
CID 89950252
1,3-dimethyl-6-propan-2-yl-4H-pyrimidin-3-ium
CID 91197435
6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
CID 123248580
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine
CID 134526418
3-(cyclohepta-1,3,6-trien-1-ylmethyl)-6-methyl-4H-pyrimidine
CID 135258687
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine?
The IUPAC name of (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine (CID 170151635) is (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine.
What is the SMILES notation for (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine?
The canonical SMILES for (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine is C/C=C\C=C1\N=CN(C)C\C1=C\C.
What is the InChIKey of (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine?
The InChIKey is ZQTXXLGMLRBWER-ULIAIXMASA-N. The full InChI is InChI=1S/C11H16N2/c1-4-6-7-11-10(5-2)8-13(3)9-12-11/h4-7,9H,8H2,1-3H3/b6-4-,10-5-,11-7+.
What are the key properties of (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine?
(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine is sourced from PubChem (CID 170151635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).