6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine

C9H9IN2O — CID 155410220

IUPAC6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine
SMILESCC(C)c1ncc2oc(I)cc2n1
InChIInChI=1S/C9H9IN2O/c1-5(2)9-11-4-7-6(12-9)3-8(10)13-7/h3-5H,1-2H3
InChIKeyQCBDYNPIMMHNTF-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.95
Rot. Bonds1

About 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine

6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine (PubChem CID 155410220) has the molecular formula C9H9IN2O and a molecular weight of 288.09 g/mol. Its IUPAC name is 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine
PubChem CID155410220
Molecular FormulaC9H9IN2O
Molecular Weight288.09 g/mol
Exact Mass287.98
IUPAC Name6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine
SMILESCC(C)c1ncc2oc(I)cc2n1
InChIInChI=1S/C9H9IN2O/c1-5(2)9-11-4-7-6(12-9)3-8(10)13-7/h3-5H,1-2H3
InChIKeyQCBDYNPIMMHNTF-UHFFFAOYSA-N
XLogP2.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine (CID 155410220) is 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine is CC(C)c1ncc2oc(I)cc2n1.
What is the InChIKey of 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine?
The InChIKey is QCBDYNPIMMHNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O/c1-5(2)9-11-4-7-6(12-9)3-8(10)13-7/h3-5H,1-2H3.
What are the key properties of 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine?
6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine has a molecular weight of 288.09 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 155410220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).