5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine

C15H13IN4 — CID 143790682

IUPAC5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Cc3ccc(I)cc3)cccc2n1
InChIInChI=1S/C15H13IN4/c16-11-6-4-9(5-7-11)8-10-2-1-3-12-13(10)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20)
InChIKeyDZGGXUMYHYIBLN-UHFFFAOYSA-N
MW376.20 g/mol
LogP2.99
Rot. Bonds2

About 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine

5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine (PubChem CID 143790682) has the molecular formula C15H13IN4 and a molecular weight of 376.20 g/mol. Its IUPAC name is 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine
PubChem CID143790682
Molecular FormulaC15H13IN4
Molecular Weight376.20 g/mol
Exact Mass376.02
IUPAC Name5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Cc3ccc(I)cc3)cccc2n1
InChIInChI=1S/C15H13IN4/c16-11-6-4-9(5-7-11)8-10-2-1-3-12-13(10)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20)
InChIKeyDZGGXUMYHYIBLN-UHFFFAOYSA-N
XLogP2.99
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 52.99
H-Bond Donors ≤ 52
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 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine (CID 143790682) is 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine is Nc1nc(N)c2c(Cc3ccc(I)cc3)cccc2n1.
What is the InChIKey of 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is DZGGXUMYHYIBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN4/c16-11-6-4-9(5-7-11)8-10-2-1-3-12-13(10)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20).
What are the key properties of 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine?
5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 376.20 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 143790682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).