4-methyl-2H-pyrimidin-2-ide;rhenium

C5H5N2Re- — CID 143794321

IUPAC4-methyl-2H-pyrimidin-2-ide;rhenium
SMILESCc1ccn[c-]n1.[Re]
InChIInChI=1S/C5H5N2.Re/c1-5-2-3-6-4-7-5;/h2-3H,1H3;/q-1;
InChIKeyRPRBTVVRGKTSNK-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.58
Rot. Bonds

About 4-methyl-2H-pyrimidin-2-ide;rhenium

4-methyl-2H-pyrimidin-2-ide;rhenium (PubChem CID 143794321) has the molecular formula C5H5N2Re- and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-methyl-2H-pyrimidin-2-ide;rhenium.

Molecular Properties

Compound Name4-methyl-2H-pyrimidin-2-ide;rhenium
PubChem CID143794321
Molecular FormulaC5H5N2Re-
Molecular Weight279.32 g/mol
Exact Mass280.00
IUPAC Name4-methyl-2H-pyrimidin-2-ide;rhenium
SMILESCc1ccn[c-]n1.[Re]
InChIInChI=1S/C5H5N2.Re/c1-5-2-3-6-4-7-5;/h2-3H,1H3;/q-1;
InChIKeyRPRBTVVRGKTSNK-UHFFFAOYSA-N
XLogP0.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.58
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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-pyrimidin-2-ide;rhenium?
The IUPAC name of 4-methyl-2H-pyrimidin-2-ide;rhenium (CID 143794321) is 4-methyl-2H-pyrimidin-2-ide;rhenium.
What is the SMILES notation for 4-methyl-2H-pyrimidin-2-ide;rhenium?
The canonical SMILES for 4-methyl-2H-pyrimidin-2-ide;rhenium is Cc1ccn[c-]n1.[Re].
What is the InChIKey of 4-methyl-2H-pyrimidin-2-ide;rhenium?
The InChIKey is RPRBTVVRGKTSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2.Re/c1-5-2-3-6-4-7-5;/h2-3H,1H3;/q-1;.
What are the key properties of 4-methyl-2H-pyrimidin-2-ide;rhenium?
4-methyl-2H-pyrimidin-2-ide;rhenium has a molecular weight of 279.32 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-pyrimidin-2-ide;rhenium is sourced from PubChem (CID 143794321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).