2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium

C8H9N2Y- — CID 59149842

IUPAC2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium
SMILESCc1n[c-]c2c(n1)CCC2.[Y]
InChIInChI=1S/C8H9N2.Y/c1-6-9-5-7-3-2-4-8(7)10-6;/h2-4H2,1H3;/q-1;
InChIKeyOBWANYVFIMEIIQ-UHFFFAOYSA-N
MW222.08 g/mol
LogP1.07
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium

2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium (PubChem CID 59149842) has the molecular formula C8H9N2Y- and a molecular weight of 222.08 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium
PubChem CID59149842
Molecular FormulaC8H9N2Y-
Molecular Weight222.08 g/mol
Exact Mass221.98
IUPAC Name2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium
SMILESCc1n[c-]c2c(n1)CCC2.[Y]
InChIInChI=1S/C8H9N2.Y/c1-6-9-5-7-3-2-4-8(7)10-6;/h2-4H2,1H3;/q-1;
InChIKeyOBWANYVFIMEIIQ-UHFFFAOYSA-N
XLogP1.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;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

2-Prop-2-ynyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;bis(yttrium)
CID 57881243
carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 58651181
CID 59474350
CID 59474350
2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 59560496
Carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium
CID 162285134
carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium(3+)
CID 21034538

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium (CID 59149842) is 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium is Cc1n[c-]c2c(n1)CCC2.[Y].
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium?
The InChIKey is OBWANYVFIMEIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2.Y/c1-6-9-5-7-3-2-4-8(7)10-6;/h2-4H2,1H3;/q-1;.
What are the key properties of 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium?
2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium has a molecular weight of 222.08 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium is sourced from PubChem (CID 59149842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).