2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine

C10H10IN3O — CID 66305905

IUPAC2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccco2)nc(C)c1I
InChIInChI=1S/C10H10IN3O/c1-6-8(11)10(12-2)14-9(13-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyDAPGIDGGVWXSCN-UHFFFAOYSA-N
MW315.11 g/mol
LogP2.69
Rot. Bonds2

About 2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine

2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66305905) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66305905
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccco2)nc(C)c1I
InChIInChI=1S/C10H10IN3O/c1-6-8(11)10(12-2)14-9(13-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyDAPGIDGGVWXSCN-UHFFFAOYSA-N
XLogP2.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66305905) is 2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2ccco2)nc(C)c1I.
What is the InChIKey of 2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is DAPGIDGGVWXSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c1-6-8(11)10(12-2)14-9(13-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 315.11 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66305905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).