5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium

C9H12N2Y-2 — CID 59890257

IUPAC5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium
SMILESC/[C-]=C1\NC(C)=NC\C1=[C-]/C.[Y]
InChIInChI=1S/C9H12N2.Y/c1-4-8-6-10-7(3)11-9(8)5-2;/h6H2,1-3H3,(H,10,11);/q-2;
InChIKeyTWEHBYWUCQFDPH-UHFFFAOYSA-N
MW237.11 g/mol
LogP1.46
Rot. Bonds

About 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium

5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium (PubChem CID 59890257) has the molecular formula C9H12N2Y-2 and a molecular weight of 237.11 g/mol. Its IUPAC name is 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium.

Molecular Properties

Compound Name5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium
PubChem CID59890257
Molecular FormulaC9H12N2Y-2
Molecular Weight237.11 g/mol
Exact Mass237.01
IUPAC Name5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium
SMILESC/[C-]=C1\NC(C)=NC\C1=[C-]/C.[Y]
InChIInChI=1S/C9H12N2.Y/c1-4-8-6-10-7(3)11-9(8)5-2;/h6H2,1-3H3,(H,10,11);/q-2;
InChIKeyTWEHBYWUCQFDPH-UHFFFAOYSA-N
XLogP1.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-but-2-en-2-yl-2-methyl-4,5-dihydro-1H-pyrimidin-5-ide;yttrium
CID 59890254
6-But-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium
CID 59890256
5,6-di(ethylidene)-1,2-dimethyl-4H-pyrimidine;yttrium
CID 59890259
2,4,5,6-Tetramethyl-1,4-dihydropyrimidine
CID 91492600
5-but-2-en-2-yl-2-methyl-4,6-dihydro-1H-pyrimidin-4-ide;yttrium
CID 136198504
6-But-2-en-2-yl-2-methyl-1,4-dihydropyrimidine
CID 59890255
5,6-Di(ethylidene)-2-methyl-1,4-dihydropyrimidine
CID 59890258
(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine
CID 144563364

Frequently Asked Questions

What is the IUPAC name of 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium?
The IUPAC name of 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium (CID 59890257) is 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium.
What is the SMILES notation for 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium?
The canonical SMILES for 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium is C/[C-]=C1\NC(C)=NC\C1=[C-]/C.[Y].
What is the InChIKey of 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium?
The InChIKey is TWEHBYWUCQFDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.Y/c1-4-8-6-10-7(3)11-9(8)5-2;/h6H2,1-3H3,(H,10,11);/q-2;.
What are the key properties of 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium?
5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium has a molecular weight of 237.11 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium is sourced from PubChem (CID 59890257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).