6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium

C6H6ClN2Y- — CID 58803006

IUPAC6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium
SMILESCc1n[c-]c(C)c(Cl)n1.[Y]
InChIInChI=1S/C6H6ClN2.Y/c1-4-3-8-5(2)9-6(4)7;/h1-2H3;/q-1;
InChIKeyPEIIAMPIMWBXQH-UHFFFAOYSA-N
MW230.49 g/mol
LogP1.54
Rot. Bonds

About 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium

6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium (PubChem CID 58803006) has the molecular formula C6H6ClN2Y- and a molecular weight of 230.49 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium
PubChem CID58803006
Molecular FormulaC6H6ClN2Y-
Molecular Weight230.49 g/mol
Exact Mass229.93
IUPAC Name6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium
SMILESCc1n[c-]c(C)c(Cl)n1.[Y]
InChIInChI=1S/C6H6ClN2.Y/c1-4-3-8-5(2)9-6(4)7;/h1-2H3;/q-1;
InChIKeyPEIIAMPIMWBXQH-UHFFFAOYSA-N
XLogP1.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.49
LogP ≤ 51.54
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 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium?
The IUPAC name of 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium (CID 58803006) is 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium.
What is the SMILES notation for 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium?
The canonical SMILES for 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium is Cc1n[c-]c(C)c(Cl)n1.[Y].
What is the InChIKey of 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium?
The InChIKey is PEIIAMPIMWBXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN2.Y/c1-4-3-8-5(2)9-6(4)7;/h1-2H3;/q-1;.
What are the key properties of 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium?
6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium has a molecular weight of 230.49 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-4H-pyrimidin-4-ide;yttrium is sourced from PubChem (CID 58803006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).