2-benzyl-6-iodoquinazolin-4-amine

C15H12IN3 — CID 163550533

IUPAC2-benzyl-6-iodoquinazolin-4-amine
SMILESNc1nc(Cc2ccccc2)nc2ccc(I)cc12
InChIInChI=1S/C15H12IN3/c16-11-6-7-13-12(9-11)15(17)19-14(18-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,17,18,19)
InChIKeyHFASGYMUXQUAQH-UHFFFAOYSA-N
MW361.19 g/mol
LogP3.41
Rot. Bonds2

About 2-benzyl-6-iodoquinazolin-4-amine

2-benzyl-6-iodoquinazolin-4-amine (PubChem CID 163550533) has the molecular formula C15H12IN3 and a molecular weight of 361.19 g/mol. Its IUPAC name is 2-benzyl-6-iodoquinazolin-4-amine.

Molecular Properties

Compound Name2-benzyl-6-iodoquinazolin-4-amine
PubChem CID163550533
Molecular FormulaC15H12IN3
Molecular Weight361.19 g/mol
Exact Mass361.01
IUPAC Name2-benzyl-6-iodoquinazolin-4-amine
SMILESNc1nc(Cc2ccccc2)nc2ccc(I)cc12
InChIInChI=1S/C15H12IN3/c16-11-6-7-13-12(9-11)15(17)19-14(18-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,17,18,19)
InChIKeyHFASGYMUXQUAQH-UHFFFAOYSA-N
XLogP3.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(chloromethyl)quinazolin-4-amine
CID 91333470
1,3-dibenzyl-7-iodoisoquinoline
CID 141360300
2-ethyl-6-phenoxyquinazolin-4-amine
CID 106584239
2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
CID 66300487
2-benzyl-1,3-benzoxazol-6-amine
CID 39112088
2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91339578
2,3-dihydroxypropyl 3-[3-[(4-amino-6-bromoquinazolin-2-yl)methyl]phenyl]propanoate
CID 163665737
6-chloro-2-(methylaminomethyl)quinazolin-4-amine
CID 105480053
2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 149139739
2-benzyl-7H-purin-6-amine
CID 15986830
6-iodo-2-methylquinolin-4-amine
CID 62201802
2-benzylpyrimidine
CID 13143744

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-iodoquinazolin-4-amine?
The IUPAC name of 2-benzyl-6-iodoquinazolin-4-amine (CID 163550533) is 2-benzyl-6-iodoquinazolin-4-amine.
What is the SMILES notation for 2-benzyl-6-iodoquinazolin-4-amine?
The canonical SMILES for 2-benzyl-6-iodoquinazolin-4-amine is Nc1nc(Cc2ccccc2)nc2ccc(I)cc12.
What is the InChIKey of 2-benzyl-6-iodoquinazolin-4-amine?
The InChIKey is HFASGYMUXQUAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3/c16-11-6-7-13-12(9-11)15(17)19-14(18-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,17,18,19).
What are the key properties of 2-benzyl-6-iodoquinazolin-4-amine?
2-benzyl-6-iodoquinazolin-4-amine has a molecular weight of 361.19 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-iodoquinazolin-4-amine is sourced from PubChem (CID 163550533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).