4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium

C9H11N2Y- — CID 58291692

IUPAC4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium
SMILESC/C=C/c1nc(C)[c-]c(C)n1.[Y]
InChIInChI=1S/C9H11N2.Y/c1-4-5-9-10-7(2)6-8(3)11-9;/h4-5H,1-3H3;/q-1;/b5-4+;
InChIKeyYHARSWZOZXEYIC-FXRZFVDSSA-N
MW236.11 g/mol
LogP1.92
Rot. Bonds1

About 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium

4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium (PubChem CID 58291692) has the molecular formula C9H11N2Y- and a molecular weight of 236.11 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium.

Molecular Properties

Compound Name4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium
PubChem CID58291692
Molecular FormulaC9H11N2Y-
Molecular Weight236.11 g/mol
Exact Mass236.00
IUPAC Name4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium
SMILESC/C=C/c1nc(C)[c-]c(C)n1.[Y]
InChIInChI=1S/C9H11N2.Y/c1-4-5-9-10-7(2)6-8(3)11-9;/h4-5H,1-3H3;/q-1;/b5-4+;
InChIKeyYHARSWZOZXEYIC-FXRZFVDSSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.92
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-prop-1-enyl-5H-pyrimidin-5-ide;vanadium;yttrium
CID 58291652
4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium
CID 58291705
2,4,6-trimethyl-5H-pyrimidin-5-ide;yttrium
CID 58630602
carbanide;2,4,6-trimethyl-5H-pyrimidin-5-ide;yttrium
CID 58651175
4,6-dimethyl-2H-pyrimidin-2-ide;yttrium
CID 58945782
N'-methyl-N-[(Z)-pent-3-en-2-ylidene]ethanimidamide
CID 139455721
2-ethyl-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium
CID 145576947
carbanide;2,4,6-trimethyl-5H-pyrimidin-5-ide;yttrium(3+)
CID 21034537
2,4,6-trimethyl-5H-pyrimidin-5-ide;yttrium(3+)
CID 23568742

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium?
The IUPAC name of 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium (CID 58291692) is 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium.
What is the SMILES notation for 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium?
The canonical SMILES for 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium is C/C=C/c1nc(C)[c-]c(C)n1.[Y].
What is the InChIKey of 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium?
The InChIKey is YHARSWZOZXEYIC-FXRZFVDSSA-N. The full InChI is InChI=1S/C9H11N2.Y/c1-4-5-9-10-7(2)6-8(3)11-9;/h4-5H,1-3H3;/q-1;/b5-4+;.
What are the key properties of 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium?
4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium has a molecular weight of 236.11 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium is sourced from PubChem (CID 58291692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).