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

C8H7N2Y- — CID 58811325

IUPAC4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium
SMILESCc1n[c-]nc2c1C=CC2.[Y]
InChIInChI=1S/C8H7N2.Y/c1-6-7-3-2-4-8(7)10-5-9-6;/h2-3H,4H2,1H3;/q-1;
InChIKeyCFSZXHBYHVCPCW-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.15
Rot. Bonds

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

4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium (PubChem CID 58811325) has the molecular formula C8H7N2Y- and a molecular weight of 220.06 g/mol. Its IUPAC name is 4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium.

Molecular Properties

Compound Name4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium
PubChem CID58811325
Molecular FormulaC8H7N2Y-
Molecular Weight220.06 g/mol
Exact Mass219.97
IUPAC Name4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium
SMILESCc1n[c-]nc2c1C=CC2.[Y]
InChIInChI=1S/C8H7N2.Y/c1-6-7-3-2-4-8(7)10-5-9-6;/h2-3H,4H2,1H3;/q-1;
InChIKeyCFSZXHBYHVCPCW-UHFFFAOYSA-N
XLogP1.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.15
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 4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium?
The IUPAC name of 4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium (CID 58811325) is 4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium.
What is the SMILES notation for 4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium?
The canonical SMILES for 4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium is Cc1n[c-]nc2c1C=CC2.[Y].
What is the InChIKey of 4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium?
The InChIKey is CFSZXHBYHVCPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2.Y/c1-6-7-3-2-4-8(7)10-5-9-6;/h2-3H,4H2,1H3;/q-1;.
What are the key properties of 4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium?
4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium has a molecular weight of 220.06 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,7-dihydrocyclopenta[d]pyrimidin-2-ide;yttrium is sourced from PubChem (CID 58811325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).