4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine

C11H14N4O2S — CID 65337012

IUPAC4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
SMILESCS(=O)(=O)CCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C11H14N4O2S/c1-18(16,17)5-4-13-11-9-3-2-8(12)6-10(9)14-7-15-11/h2-3,6-7H,4-5,12H2,1H3,(H,13,14,15)
InChIKeyVHSBAHXLXIJVFT-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.67
Rot. Bonds4

About 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine

4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine (PubChem CID 65337012) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
PubChem CID65337012
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
SMILESCS(=O)(=O)CCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C11H14N4O2S/c1-18(16,17)5-4-13-11-9-3-2-8(12)6-10(9)14-7-15-11/h2-3,6-7H,4-5,12H2,1H3,(H,13,14,15)
InChIKeyVHSBAHXLXIJVFT-UHFFFAOYSA-N
XLogP0.67
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
CID 65336790
tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
CID 104932831
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
CID 65337256
3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine (CID 65337012) is 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine is CS(=O)(=O)CCNc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine?
The InChIKey is VHSBAHXLXIJVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-18(16,17)5-4-13-11-9-3-2-8(12)6-10(9)14-7-15-11/h2-3,6-7H,4-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine?
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine has a molecular weight of 266.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine is sourced from PubChem (CID 65337012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).