4H-quinazoline-3,8-diamine

C8H10N4 — CID 175015962

IUPAC4H-quinazoline-3,8-diamine
SMILESNc1cccc2c1N=CN(N)C2
InChIInChI=1S/C8H10N4/c9-7-3-1-2-6-4-12(10)5-11-8(6)7/h1-3,5H,4,9-10H2
InChIKeyGXKBFKHOXJHWGS-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.62
Rot. Bonds

About 4H-quinazoline-3,8-diamine

4H-quinazoline-3,8-diamine (PubChem CID 175015962) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4H-quinazoline-3,8-diamine.

Molecular Properties

Compound Name4H-quinazoline-3,8-diamine
PubChem CID175015962
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name4H-quinazoline-3,8-diamine
SMILESNc1cccc2c1N=CN(N)C2
InChIInChI=1S/C8H10N4/c9-7-3-1-2-6-4-12(10)5-11-8(6)7/h1-3,5H,4,9-10H2
InChIKeyGXKBFKHOXJHWGS-UHFFFAOYSA-N
XLogP0.62
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-quinazoline-3,8-diamine?
The IUPAC name of 4H-quinazoline-3,8-diamine (CID 175015962) is 4H-quinazoline-3,8-diamine.
What is the SMILES notation for 4H-quinazoline-3,8-diamine?
The canonical SMILES for 4H-quinazoline-3,8-diamine is Nc1cccc2c1N=CN(N)C2.
What is the InChIKey of 4H-quinazoline-3,8-diamine?
The InChIKey is GXKBFKHOXJHWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-7-3-1-2-6-4-12(10)5-11-8(6)7/h1-3,5H,4,9-10H2.
What are the key properties of 4H-quinazoline-3,8-diamine?
4H-quinazoline-3,8-diamine has a molecular weight of 162.20 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-quinazoline-3,8-diamine is sourced from PubChem (CID 175015962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).