(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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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).