6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine

C13H10IN5 — CID 67297986

IUPAC6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine
SMILESCNc1nc(-c2cnccn2)nc2ccc(I)cc12
InChIInChI=1S/C13H10IN5/c1-15-12-9-6-8(14)2-3-10(9)18-13(19-12)11-7-16-4-5-17-11/h2-7H,1H3,(H,15,18,19)
InChIKeyYABKXYPANUFKJD-UHFFFAOYSA-N
MW363.16 g/mol
LogP2.73
Rot. Bonds2

About 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine

6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine (PubChem CID 67297986) has the molecular formula C13H10IN5 and a molecular weight of 363.16 g/mol. Its IUPAC name is 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine
PubChem CID67297986
Molecular FormulaC13H10IN5
Molecular Weight363.16 g/mol
Exact Mass363.00
IUPAC Name6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine
SMILESCNc1nc(-c2cnccn2)nc2ccc(I)cc12
InChIInChI=1S/C13H10IN5/c1-15-12-9-6-8(14)2-3-10(9)18-13(19-12)11-7-16-4-5-17-11/h2-7H,1H3,(H,15,18,19)
InChIKeyYABKXYPANUFKJD-UHFFFAOYSA-N
XLogP2.73
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 52.73
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 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine?
The IUPAC name of 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine (CID 67297986) is 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine?
The canonical SMILES for 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine is CNc1nc(-c2cnccn2)nc2ccc(I)cc12.
What is the InChIKey of 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine?
The InChIKey is YABKXYPANUFKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN5/c1-15-12-9-6-8(14)2-3-10(9)18-13(19-12)11-7-16-4-5-17-11/h2-7H,1H3,(H,15,18,19).
What are the key properties of 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine?
6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine has a molecular weight of 363.16 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine is sourced from PubChem (CID 67297986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).