N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine

C15H16IN5 — CID 133318616

IUPACN-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine
SMILESCC(CNc1ncnc2ccc(I)cc12)Cn1ccnc1
InChIInChI=1S/C15H16IN5/c1-11(8-21-5-4-17-10-21)7-18-15-13-6-12(16)2-3-14(13)19-9-20-15/h2-6,9-11H,7-8H2,1H3,(H,18,19,20)
InChIKeyXOJFVAKBXGSUAE-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.18
Rot. Bonds5

About N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine

N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine (PubChem CID 133318616) has the molecular formula C15H16IN5 and a molecular weight of 393.23 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine
PubChem CID133318616
Molecular FormulaC15H16IN5
Molecular Weight393.23 g/mol
Exact Mass393.05
IUPAC NameN-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine
SMILESCC(CNc1ncnc2ccc(I)cc12)Cn1ccnc1
InChIInChI=1S/C15H16IN5/c1-11(8-21-5-4-17-10-21)7-18-15-13-6-12(16)2-3-14(13)19-9-20-15/h2-6,9-11H,7-8H2,1H3,(H,18,19,20)
InChIKeyXOJFVAKBXGSUAE-UHFFFAOYSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine?
The IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine (CID 133318616) is N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine is CC(CNc1ncnc2ccc(I)cc12)Cn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine?
The InChIKey is XOJFVAKBXGSUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN5/c1-11(8-21-5-4-17-10-21)7-18-15-13-6-12(16)2-3-14(13)19-9-20-15/h2-6,9-11H,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine?
N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine has a molecular weight of 393.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine is sourced from PubChem (CID 133318616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).