4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium

C11H16N2VY-2 — CID 58291725

IUPAC4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium
SMILES[CH2-]C(C)(C)Cc1[c-]c(C)nc(C)n1.[V].[Y]
InChIInChI=1S/C11H16N2.V.Y/c1-8-6-10(7-11(3,4)5)13-9(2)12-8;;/h3,7H2,1-2,4-5H3;;/q-2;;
InChIKeyLOGARGIFTRYOEW-UHFFFAOYSA-N
MW316.11 g/mol
LogP2.29
Rot. Bonds2

About 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium

4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium (PubChem CID 58291725) has the molecular formula C11H16N2VY-2 and a molecular weight of 316.11 g/mol. Its IUPAC name is 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium.

Molecular Properties

Compound Name4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium
PubChem CID58291725
Molecular FormulaC11H16N2VY-2
Molecular Weight316.11 g/mol
Exact Mass315.98
IUPAC Name4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium
SMILES[CH2-]C(C)(C)Cc1[c-]c(C)nc(C)n1.[V].[Y]
InChIInChI=1S/C11H16N2.V.Y/c1-8-6-10(7-11(3,4)5)13-9(2)12-8;;/h3,7H2,1-2,4-5H3;;/q-2;;
InChIKeyLOGARGIFTRYOEW-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 52.29
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-dimethyl-6-propyl-5H-pyrimidin-5-ide;yttrium
CID 58291678
4-(2-methanidylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium
CID 58291694

Frequently Asked Questions

What is the IUPAC name of 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium?
The IUPAC name of 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium (CID 58291725) is 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium.
What is the SMILES notation for 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium?
The canonical SMILES for 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium is [CH2-]C(C)(C)Cc1[c-]c(C)nc(C)n1.[V].[Y].
What is the InChIKey of 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium?
The InChIKey is LOGARGIFTRYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.V.Y/c1-8-6-10(7-11(3,4)5)13-9(2)12-8;;/h3,7H2,1-2,4-5H3;;/q-2;;.
What are the key properties of 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium?
4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium has a molecular weight of 316.11 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methanidyl-2-methylpropyl)-2,6-dimethyl-5H-pyrimidin-5-ide;vanadium;yttrium is sourced from PubChem (CID 58291725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).