2-(2,2-dimethylpropyl)-4-iodopyrimidine

C9H13IN2 — CID 176739126

IUPAC2-(2,2-dimethylpropyl)-4-iodopyrimidine
SMILESCC(C)(C)Cc1nccc(I)n1
InChIInChI=1S/C9H13IN2/c1-9(2,3)6-8-11-5-4-7(10)12-8/h4-5H,6H2,1-3H3
InChIKeyLPGFFEAQDCTLPQ-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.67
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-4-iodopyrimidine

2-(2,2-dimethylpropyl)-4-iodopyrimidine (PubChem CID 176739126) has the molecular formula C9H13IN2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-iodopyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-iodopyrimidine
PubChem CID176739126
Molecular FormulaC9H13IN2
Molecular Weight276.12 g/mol
Exact Mass276.01
IUPAC Name2-(2,2-dimethylpropyl)-4-iodopyrimidine
SMILESCC(C)(C)Cc1nccc(I)n1
InChIInChI=1S/C9H13IN2/c1-9(2,3)6-8-11-5-4-7(10)12-8/h4-5H,6H2,1-3H3
InChIKeyLPGFFEAQDCTLPQ-UHFFFAOYSA-N
XLogP2.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-iodopyrimidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-iodopyrimidine (CID 176739126) is 2-(2,2-dimethylpropyl)-4-iodopyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-iodopyrimidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-iodopyrimidine is CC(C)(C)Cc1nccc(I)n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-iodopyrimidine?
The InChIKey is LPGFFEAQDCTLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2/c1-9(2,3)6-8-11-5-4-7(10)12-8/h4-5H,6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-iodopyrimidine?
2-(2,2-dimethylpropyl)-4-iodopyrimidine has a molecular weight of 276.12 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-iodopyrimidine is sourced from PubChem (CID 176739126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).