2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine

C12H17N5O2S — CID 80915950

IUPAC2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C12H17N5O2S/c1-8(7-20(2,18)19)14-11-9-5-3-4-6-10(9)15-12(16-11)17-13/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyZQOKLXPPHNMMIP-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.76
Rot. Bonds5

About 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine

2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine (PubChem CID 80915950) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine
PubChem CID80915950
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C12H17N5O2S/c1-8(7-20(2,18)19)14-11-9-5-3-4-6-10(9)15-12(16-11)17-13/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyZQOKLXPPHNMMIP-UHFFFAOYSA-N
XLogP0.76
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333992
N-(1-ethoxypropan-2-yl)-2-hydrazinylquinazolin-4-amine
CID 80902618
1-N,1-N-diethyl-2-N-(2-hydrazinylquinazolin-4-yl)propane-1,2-diamine
CID 80902005
2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
CID 80914929
2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
CID 80901097
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
CID 102908996
2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
CID 19939147
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
CID 83179969
4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80786241

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine (CID 80915950) is 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine is CC(CS(C)(=O)=O)Nc1nc(NN)nc2ccccc12.
What is the InChIKey of 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine?
The InChIKey is ZQOKLXPPHNMMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-8(7-20(2,18)19)14-11-9-5-3-4-6-10(9)15-12(16-11)17-13/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine?
2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine has a molecular weight of 295.37 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 80915950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).