2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine

C10H15IN2 — CID 176739164

IUPAC2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine
SMILESCC(c1ncc(I)cn1)C(C)(C)C
InChIInChI=1S/C10H15IN2/c1-7(10(2,3)4)9-12-5-8(11)6-13-9/h5-7H,1-4H3
InChIKeyCCNXEXVOKIFANE-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.23
Rot. Bonds1

About 2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine

2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine (PubChem CID 176739164) has the molecular formula C10H15IN2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine
PubChem CID176739164
Molecular FormulaC10H15IN2
Molecular Weight290.15 g/mol
Exact Mass290.03
IUPAC Name2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine
SMILESCC(c1ncc(I)cn1)C(C)(C)C
InChIInChI=1S/C10H15IN2/c1-7(10(2,3)4)9-12-5-8(11)6-13-9/h5-7H,1-4H3
InChIKeyCCNXEXVOKIFANE-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.23
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-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine (CID 176739164) is 2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine is CC(c1ncc(I)cn1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine?
The InChIKey is CCNXEXVOKIFANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2/c1-7(10(2,3)4)9-12-5-8(11)6-13-9/h5-7H,1-4H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine?
2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine has a molecular weight of 290.15 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine is sourced from PubChem (CID 176739164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).