2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium

C10H13N2Y- — CID 59097993

IUPAC2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium
SMILESCc1n[c-]c2c(n1)CCCCC2.[Y]
InChIInChI=1S/C10H13N2.Y/c1-8-11-7-9-5-3-2-4-6-10(9)12-8;/h2-6H2,1H3;/q-1;
InChIKeyCVSQUUDZFWCOGN-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.85
Rot. Bonds

About 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium

2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium (PubChem CID 59097993) has the molecular formula C10H13N2Y- and a molecular weight of 250.13 g/mol. Its IUPAC name is 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium.

Molecular Properties

Compound Name2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium
PubChem CID59097993
Molecular FormulaC10H13N2Y-
Molecular Weight250.13 g/mol
Exact Mass250.01
IUPAC Name2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium
SMILESCc1n[c-]c2c(n1)CCCCC2.[Y]
InChIInChI=1S/C10H13N2.Y/c1-8-11-7-9-5-3-2-4-6-10(9)12-8;/h2-6H2,1H3;/q-1;
InChIKeyCVSQUUDZFWCOGN-UHFFFAOYSA-N
XLogP1.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.85
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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Related Compounds

carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 58651181
carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium(3+)
CID 21034538

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium?
The IUPAC name of 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium (CID 59097993) is 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium.
What is the SMILES notation for 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium?
The canonical SMILES for 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium is Cc1n[c-]c2c(n1)CCCCC2.[Y].
What is the InChIKey of 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium?
The InChIKey is CVSQUUDZFWCOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2.Y/c1-8-11-7-9-5-3-2-4-6-10(9)12-8;/h2-6H2,1H3;/q-1;.
What are the key properties of 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium?
2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium has a molecular weight of 250.13 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-ide;yttrium is sourced from PubChem (CID 59097993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).