4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium

C12H17N2Y- — CID 177015667

IUPAC4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium
SMILESC/C=C\c1cn[c-]nc1/C=C\C.CC.[Y]
InChIInChI=1S/C10H11N2.C2H6.Y/c1-3-5-9-7-11-8-12-10(9)6-4-2;1-2;/h3-7H,1-2H3;1-2H3;/q-1;;/b5-3-,6-4-;;
InChIKeyCJFUIJOJLWCMQK-FGDRDJDYSA-N
MW278.19 g/mol
LogP3.37
Rot. Bonds2

About 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium

4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium (PubChem CID 177015667) has the molecular formula C12H17N2Y- and a molecular weight of 278.19 g/mol. Its IUPAC name is 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium.

Molecular Properties

Compound Name4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium
PubChem CID177015667
Molecular FormulaC12H17N2Y-
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium
SMILESC/C=C\c1cn[c-]nc1/C=C\C.CC.[Y]
InChIInChI=1S/C10H11N2.C2H6.Y/c1-3-5-9-7-11-8-12-10(9)6-4-2;1-2;/h3-7H,1-2H3;1-2H3;/q-1;;/b5-3-,6-4-;;
InChIKeyCJFUIJOJLWCMQK-FGDRDJDYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-methyl-3H-pyridin-3-ide;yttrium
CID 57779809
carbanide;6-ethyl-3H-pyridin-3-ide;yttrium
CID 58257483
6-ethyl-3H-pyridin-3-ide;propane;yttrium
CID 58257500
7-methyl-2H-quinoxalin-2-ide;propane;yttrium
CID 58546773
7-bromo-2H-quinazolin-2-ide;propane;yttrium
CID 58546985
7-methyl-2H-quinazolin-2-ide;propane;yttrium
CID 58547041
7-chloro-2H-quinazolin-2-ide;propane;yttrium
CID 58547045
propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium
CID 58547644
7-fluoro-2H-quinazolin-2-ide;propane;yttrium
CID 58547673
2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten
CID 59443306
4,6-dimethyl-2H-quinazolin-2-ide;yttrium
CID 60007882
CID 85976245
CID 85976245

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium?
The IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium (CID 177015667) is 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium.
What is the SMILES notation for 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium?
The canonical SMILES for 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium is C/C=C\c1cn[c-]nc1/C=C\C.CC.[Y].
What is the InChIKey of 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium?
The InChIKey is CJFUIJOJLWCMQK-FGDRDJDYSA-N. The full InChI is InChI=1S/C10H11N2.C2H6.Y/c1-3-5-9-7-11-8-12-10(9)6-4-2;1-2;/h3-7H,1-2H3;1-2H3;/q-1;;/b5-3-,6-4-;;.
What are the key properties of 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium?
4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium has a molecular weight of 278.19 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium is sourced from PubChem (CID 177015667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).