4-iminoquinazoline-3,7-diamine

C8H9N5 — CID 123508834

IUPAC4-iminoquinazoline-3,7-diamine
SMILES[H]/N=c1\c2ccc(N)cc2ncn1N
InChIInChI=1S/C8H9N5/c9-5-1-2-6-7(3-5)12-4-13(11)8(6)10/h1-4,10H,9,11H2/b10-8+
InChIKeyFOGXIFGCRMSDCB-CSKARUKUSA-N
MW175.19 g/mol
LogP-0.19
Rot. Bonds

About 4-iminoquinazoline-3,7-diamine

4-iminoquinazoline-3,7-diamine (PubChem CID 123508834) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-iminoquinazoline-3,7-diamine.

Molecular Properties

Compound Name4-iminoquinazoline-3,7-diamine
PubChem CID123508834
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name4-iminoquinazoline-3,7-diamine
SMILES[H]/N=c1\c2ccc(N)cc2ncn1N
InChIInChI=1S/C8H9N5/c9-5-1-2-6-7(3-5)12-4-13(11)8(6)10/h1-4,10H,9,11H2/b10-8+
InChIKeyFOGXIFGCRMSDCB-CSKARUKUSA-N
XLogP-0.19
TPSA93.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,7-diaminoquinazolin-4-one
CID 123508601
4-methylquinazolin-7-amine
CID 90920738
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608
3-amino-7-chloroquinazolin-4-one
CID 82275274
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
4-[(4-chlorophenyl)methylsulfanyl]quinazolin-7-amine
CID 114790237
7-amino-N'-diazenylquinoline-4-carboximidamide
CID 137149705
2-(7-aminoquinolin-4-yl)oxyethanol
CID 103002211
4-tert-butylsulfanylquinazolin-7-amine
CID 65336188
4-(3-methylpyrazol-1-yl)quinazolin-7-amine
CID 65336078
3-tert-butylbenzimidazol-5-amine
CID 134239532
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382

Frequently Asked Questions

What is the IUPAC name of 4-iminoquinazoline-3,7-diamine?
The IUPAC name of 4-iminoquinazoline-3,7-diamine (CID 123508834) is 4-iminoquinazoline-3,7-diamine.
What is the SMILES notation for 4-iminoquinazoline-3,7-diamine?
The canonical SMILES for 4-iminoquinazoline-3,7-diamine is [H]/N=c1\c2ccc(N)cc2ncn1N.
What is the InChIKey of 4-iminoquinazoline-3,7-diamine?
The InChIKey is FOGXIFGCRMSDCB-CSKARUKUSA-N. The full InChI is InChI=1S/C8H9N5/c9-5-1-2-6-7(3-5)12-4-13(11)8(6)10/h1-4,10H,9,11H2/b10-8+.
What are the key properties of 4-iminoquinazoline-3,7-diamine?
4-iminoquinazoline-3,7-diamine has a molecular weight of 175.19 g/mol, XLogP of -0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminoquinazoline-3,7-diamine is sourced from PubChem (CID 123508834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).