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

C6H6ClN2Y- — CID 58956273

IUPAC2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium
SMILESCc1[c-]nc(Cl)nc1C.[Y]
InChIInChI=1S/C6H6ClN2.Y/c1-4-3-8-6(7)9-5(4)2;/h1-2H3;/q-1;
InChIKeyVJAVFBMNSSHKDR-UHFFFAOYSA-N
MW230.49 g/mol
LogP1.54
Rot. Bonds

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

2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium (PubChem CID 58956273) has the molecular formula C6H6ClN2Y- and a molecular weight of 230.49 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium
PubChem CID58956273
Molecular FormulaC6H6ClN2Y-
Molecular Weight230.49 g/mol
Exact Mass229.93
IUPAC Name2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium
SMILESCc1[c-]nc(Cl)nc1C.[Y]
InChIInChI=1S/C6H6ClN2.Y/c1-4-3-8-6(7)9-5(4)2;/h1-2H3;/q-1;
InChIKeyVJAVFBMNSSHKDR-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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Related Compounds

5,6-Dimethyl-2,4-dihydropyrimidine-2,4-diide;bis(yttrium)
CID 57531787
5,6-Dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)
CID 58120789
carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 58651181
2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 59560496
carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium(3+)
CID 21034538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium?
The IUPAC name of 2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium (CID 58956273) is 2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium.
What is the SMILES notation for 2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium?
The canonical SMILES for 2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium is Cc1[c-]nc(Cl)nc1C.[Y].
What is the InChIKey of 2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium?
The InChIKey is VJAVFBMNSSHKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN2.Y/c1-4-3-8-6(7)9-5(4)2;/h1-2H3;/q-1;.
What are the key properties of 2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium?
2-chloro-5,6-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 2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium is sourced from PubChem (CID 58956273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).