6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium

C5H4ClN2V- — CID 58630547

IUPAC6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium
SMILESCc1n[c-]cc(Cl)n1.[V]
InChIInChI=1S/C5H4ClN2.V/c1-4-7-3-2-5(6)8-4;/h2H,1H3;/q-1;
InChIKeyHCNMSBOUJIJYHS-UHFFFAOYSA-N
MW178.50 g/mol
LogP1.24
Rot. Bonds

About 6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium

6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium (PubChem CID 58630547) has the molecular formula C5H4ClN2V- and a molecular weight of 178.50 g/mol. Its IUPAC name is 6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium.

Molecular Properties

Compound Name6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium
PubChem CID58630547
Molecular FormulaC5H4ClN2V-
Molecular Weight178.50 g/mol
Exact Mass177.95
IUPAC Name6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium
SMILESCc1n[c-]cc(Cl)n1.[V]
InChIInChI=1S/C5H4ClN2.V/c1-4-7-3-2-5(6)8-4;/h2H,1H3;/q-1;
InChIKeyHCNMSBOUJIJYHS-UHFFFAOYSA-N
XLogP1.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.50
LogP ≤ 51.24
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-methyl-4H-pyrimidin-4-ide;vanadium?
The IUPAC name of 6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium (CID 58630547) is 6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium.
What is the SMILES notation for 6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium?
The canonical SMILES for 6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium is Cc1n[c-]cc(Cl)n1.[V].
What is the InChIKey of 6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium?
The InChIKey is HCNMSBOUJIJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN2.V/c1-4-7-3-2-5(6)8-4;/h2H,1H3;/q-1;.
What are the key properties of 6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium?
6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium has a molecular weight of 178.50 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4H-pyrimidin-4-ide;vanadium is sourced from PubChem (CID 58630547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).