4-propan-2-yl-2H-pyrimidin-2-ide;rhenium

C7H9N2Re- — CID 146767748

IUPAC4-propan-2-yl-2H-pyrimidin-2-ide;rhenium
SMILESCC(C)c1ccn[c-]n1.[Re]
InChIInChI=1S/C7H9N2.Re/c1-6(2)7-3-4-8-5-9-7;/h3-4,6H,1-2H3;/q-1;
InChIKeyUBVGPLQFGVGJRL-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.40
Rot. Bonds1

About 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium

4-propan-2-yl-2H-pyrimidin-2-ide;rhenium (PubChem CID 146767748) has the molecular formula C7H9N2Re- and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium.

Molecular Properties

Compound Name4-propan-2-yl-2H-pyrimidin-2-ide;rhenium
PubChem CID146767748
Molecular FormulaC7H9N2Re-
Molecular Weight307.37 g/mol
Exact Mass308.03
IUPAC Name4-propan-2-yl-2H-pyrimidin-2-ide;rhenium
SMILESCC(C)c1ccn[c-]n1.[Re]
InChIInChI=1S/C7H9N2.Re/c1-6(2)7-3-4-8-5-9-7;/h3-4,6H,1-2H3;/q-1;
InChIKeyUBVGPLQFGVGJRL-UHFFFAOYSA-N
XLogP1.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium?
The IUPAC name of 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium (CID 146767748) is 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium.
What is the SMILES notation for 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium?
The canonical SMILES for 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium is CC(C)c1ccn[c-]n1.[Re].
What is the InChIKey of 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium?
The InChIKey is UBVGPLQFGVGJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2.Re/c1-6(2)7-3-4-8-5-9-7;/h3-4,6H,1-2H3;/q-1;.
What are the key properties of 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium?
4-propan-2-yl-2H-pyrimidin-2-ide;rhenium has a molecular weight of 307.37 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2H-pyrimidin-2-ide;rhenium is sourced from PubChem (CID 146767748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).