2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium

C12H14N3Y- — CID 58291649

IUPAC2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium
SMILESCC1=NC(C)=C(c2nc(C)[c-]c(C)n2)C1.[Y]
InChIInChI=1S/C12H14N3.Y/c1-7-5-8(2)15-12(14-7)11-6-9(3)13-10(11)4;/h6H2,1-4H3;/q-1;
InChIKeyOABXCYRGOGHVQL-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.49
Rot. Bonds1

About 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium

2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium (PubChem CID 58291649) has the molecular formula C12H14N3Y- and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium.

Molecular Properties

Compound Name2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium
PubChem CID58291649
Molecular FormulaC12H14N3Y-
Molecular Weight289.17 g/mol
Exact Mass289.03
IUPAC Name2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium
SMILESCC1=NC(C)=C(c2nc(C)[c-]c(C)n2)C1.[Y]
InChIInChI=1S/C12H14N3.Y/c1-7-5-8(2)15-12(14-7)11-6-9(3)13-10(11)4;/h6H2,1-4H3;/q-1;
InChIKeyOABXCYRGOGHVQL-UHFFFAOYSA-N
XLogP2.49
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium
CID 58291705
4-ethyl-5,6-dimethyl-2H-pyrimidin-2-ide;ruthenium(1+)
CID 163847968

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium?
The IUPAC name of 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium (CID 58291649) is 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium.
What is the SMILES notation for 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium?
The canonical SMILES for 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium is CC1=NC(C)=C(c2nc(C)[c-]c(C)n2)C1.[Y].
What is the InChIKey of 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium?
The InChIKey is OABXCYRGOGHVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3.Y/c1-7-5-8(2)15-12(14-7)11-6-9(3)13-10(11)4;/h6H2,1-4H3;/q-1;.
What are the key properties of 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium?
2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium has a molecular weight of 289.17 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium is sourced from PubChem (CID 58291649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).