2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium

C28H27N2V- — CID 58604237

IUPAC2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium
SMILESCc1ccc(-c2[c-]c(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(C)c1.[V]
InChIInChI=1S/C28H27N2.V/c1-17-7-10-23(20(4)13-17)26-16-27(24-11-8-18(2)14-21(24)5)30-28(29-26)25-12-9-19(3)15-22(25)6;/h7-15H,1-6H3;/q-1;
InChIKeyWKNTVYFWYJRKDR-UHFFFAOYSA-N
MW442.48 g/mol
LogP7.13
Rot. Bonds3

About 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium

2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium (PubChem CID 58604237) has the molecular formula C28H27N2V- and a molecular weight of 442.48 g/mol. Its IUPAC name is 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium.

Molecular Properties

Compound Name2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium
PubChem CID58604237
Molecular FormulaC28H27N2V-
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium
SMILESCc1ccc(-c2[c-]c(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(C)c1.[V]
InChIInChI=1S/C28H27N2.V/c1-17-7-10-23(20(4)13-17)26-16-27(24-11-8-18(2)14-21(24)5)30-28(29-26)25-12-9-19(3)15-22(25)6;/h7-15H,1-6H3;/q-1;
InChIKeyWKNTVYFWYJRKDR-UHFFFAOYSA-N
XLogP7.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 57.13
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

2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 126550804
4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
CID 43557888
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
CID 66313232
2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 55045645
4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 154233964
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
CID 114589664
2-(2,4-dimethylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913279
5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66302387
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 135988448
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium?
The IUPAC name of 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium (CID 58604237) is 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium.
What is the SMILES notation for 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium?
The canonical SMILES for 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium is Cc1ccc(-c2[c-]c(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(C)c1.[V].
What is the InChIKey of 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium?
The InChIKey is WKNTVYFWYJRKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N2.V/c1-17-7-10-23(20(4)13-17)26-16-27(24-11-8-18(2)14-21(24)5)30-28(29-26)25-12-9-19(3)15-22(25)6;/h7-15H,1-6H3;/q-1;.
What are the key properties of 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium?
2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium has a molecular weight of 442.48 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium is sourced from PubChem (CID 58604237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).