2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium

C7H3Cl2N2Y- — CID 146966453

IUPAC2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium
SMILESClc1nc(Cl)c2c(n1)[C-]=CC2.[Y]
InChIInChI=1S/C7H3Cl2N2.Y/c8-6-4-2-1-3-5(4)10-7(9)11-6;/h1H,2H2;/q-1;
InChIKeyBUZPFOXFLRHBRC-UHFFFAOYSA-N
MW274.93 g/mol
LogP2.04
Rot. Bonds

About 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium

2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium (PubChem CID 146966453) has the molecular formula C7H3Cl2N2Y- and a molecular weight of 274.93 g/mol. Its IUPAC name is 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium.

Molecular Properties

Compound Name2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium
PubChem CID146966453
Molecular FormulaC7H3Cl2N2Y-
Molecular Weight274.93 g/mol
Exact Mass273.87
IUPAC Name2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium
SMILESClc1nc(Cl)c2c(n1)[C-]=CC2.[Y]
InChIInChI=1S/C7H3Cl2N2.Y/c8-6-4-2-1-3-5(4)10-7(9)11-6;/h1H,2H2;/q-1;
InChIKeyBUZPFOXFLRHBRC-UHFFFAOYSA-N
XLogP2.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.93
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium?
The IUPAC name of 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium (CID 146966453) is 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium.
What is the SMILES notation for 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium?
The canonical SMILES for 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium is Clc1nc(Cl)c2c(n1)[C-]=CC2.[Y].
What is the InChIKey of 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium?
The InChIKey is BUZPFOXFLRHBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N2.Y/c8-6-4-2-1-3-5(4)10-7(9)11-6;/h1H,2H2;/q-1;.
What are the key properties of 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium?
2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium has a molecular weight of 274.93 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium is sourced from PubChem (CID 146966453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).