4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium

C9H9N2Y- — CID 58291710

IUPAC4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium
SMILESCC#Cc1nc(C)[c-]c(C)n1.[Y]
InChIInChI=1S/C9H9N2.Y/c1-4-5-9-10-7(2)6-8(3)11-9;/h1-3H3;/q-1;
InChIKeyHEBQAVQITOSXKB-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.26
Rot. Bonds

About 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium

4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium (PubChem CID 58291710) has the molecular formula C9H9N2Y- and a molecular weight of 234.09 g/mol. Its IUPAC name is 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium.

Molecular Properties

Compound Name4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium
PubChem CID58291710
Molecular FormulaC9H9N2Y-
Molecular Weight234.09 g/mol
Exact Mass233.98
IUPAC Name4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium
SMILESCC#Cc1nc(C)[c-]c(C)n1.[Y]
InChIInChI=1S/C9H9N2.Y/c1-4-5-9-10-7(2)6-8(3)11-9;/h1-3H3;/q-1;
InChIKeyHEBQAVQITOSXKB-UHFFFAOYSA-N
XLogP1.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-6-prop-1-enyl-5H-pyrimidin-5-ide;vanadium;yttrium
CID 58291652
4,6-dimethyl-5H-pyrimidin-5-id-2-amine;yttrium
CID 58291655
2,4-dimethyl-6-propyl-5H-pyrimidin-5-ide;yttrium
CID 58291678
Potassium;4,6-dimethyl-2,5-dihydropyrimidine-2,5-diide;yttrium
CID 58291691
2,4,6-trimethyl-5H-pyrimidin-5-ide;yttrium
CID 58630602
carbanide;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 58651167
carbanide;2,4,6-trimethyl-5H-pyrimidin-5-ide;yttrium
CID 58651175
4,6-Dimethyl-2,5-dihydropyrimidine-2,5-diide;tungsten;yttrium
CID 59389610
4,6-dimethyl-2H-pyrimidin-2-id-5-amine;yttrium
CID 59467478
2,4,6-trimethyl-5H-pyrimidin-5-ide;tungsten
CID 59901002
4,6-Dimethyl-2,5-dihydropyrimidine-2,5-diide;ethane;rhenium;rubidium(1+)
CID 145571131
2-ethyl-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium
CID 145576947

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium?
The IUPAC name of 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium (CID 58291710) is 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium.
What is the SMILES notation for 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium?
The canonical SMILES for 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium is CC#Cc1nc(C)[c-]c(C)n1.[Y].
What is the InChIKey of 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium?
The InChIKey is HEBQAVQITOSXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2.Y/c1-4-5-9-10-7(2)6-8(3)11-9;/h1-3H3;/q-1;.
What are the key properties of 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium?
4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium has a molecular weight of 234.09 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-prop-1-ynyl-5H-pyrimidin-5-ide;yttrium is sourced from PubChem (CID 58291710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).