2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine

C17H16N10 — CID 160928089

IUPAC2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine
SMILESN#Cc1ccc2nc(N)nc(N)c2c1.Nc1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C9H7N5.C8H9N5/c10-4-5-1-2-7-6(3-5)8(11)14-9(12)13-7;9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,(H4,11,12,13,14);1-3H,9H2,(H4,10,11,12,13)
InChIKeySSXDUAMASOITFO-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.04
Rot. Bonds

About 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine

2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine (PubChem CID 160928089) has the molecular formula C17H16N10 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine.

Molecular Properties

Compound Name2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine
PubChem CID160928089
Molecular FormulaC17H16N10
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine
SMILESN#Cc1ccc2nc(N)nc(N)c2c1.Nc1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C9H7N5.C8H9N5/c10-4-5-1-2-7-6(3-5)8(11)14-9(12)13-7;9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,(H4,11,12,13,14);1-3H,9H2,(H4,10,11,12,13)
InChIKeySSXDUAMASOITFO-UHFFFAOYSA-N
XLogP1.04
TPSA205.45 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine
CID 86119311
2,4-diaminoquinazoline-6-thiol
CID 91618965
6-(4-fluorophenyl)quinazoline-2,4-diamine
CID 24810151
2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile
CID 22069327
hydrazine;platinum;quinazoline-2,4-diamine
CID 175421188
2,4-bis(trifluoromethyl)quinoline-6-carbonitrile
CID 164666836
4-amino(13C)benzonitrile
CID 10080388
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
6-N,6-N-diethylquinazoline-2,4,6-triamine
CID 44531790
2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile
CID 134986949
6-(nitrosomethyl)quinazoline-2,4-diamine
CID 172623336

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine?
The IUPAC name of 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine (CID 160928089) is 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine.
What is the SMILES notation for 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine?
The canonical SMILES for 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine is N#Cc1ccc2nc(N)nc(N)c2c1.Nc1ccc2nc(N)nc(N)c2c1.
What is the InChIKey of 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine?
The InChIKey is SSXDUAMASOITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5.C8H9N5/c10-4-5-1-2-7-6(3-5)8(11)14-9(12)13-7;9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,(H4,11,12,13,14);1-3H,9H2,(H4,10,11,12,13).
What are the key properties of 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine?
2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine has a molecular weight of 360.39 g/mol, XLogP of 1.04, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine is sourced from PubChem (CID 160928089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).