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

C12H16N4OS — CID 113494450

IUPAC4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
SMILESCCS(=O)CCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C12H16N4OS/c1-2-18(17)6-5-14-12-10-4-3-9(13)7-11(10)15-8-16-12/h3-4,7-8H,2,5-6,13H2,1H3,(H,14,15,16)
InChIKeySSRMULZETSKPFM-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.39
Rot. Bonds5

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

4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine (PubChem CID 113494450) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
PubChem CID113494450
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
SMILESCCS(=O)CCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C12H16N4OS/c1-2-18(17)6-5-14-12-10-4-3-9(13)7-11(10)15-8-16-12/h3-4,7-8H,2,5-6,13H2,1H3,(H,14,15,16)
InChIKeySSRMULZETSKPFM-UHFFFAOYSA-N
XLogP1.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
CID 65336790
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
4-N-(2-ethoxypropyl)quinazoline-4,7-diamine
CID 113476962
4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
CID 65337256
5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
CID 106812041
3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
CID 104932831

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine (CID 113494450) is 4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine is CCS(=O)CCNc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine?
The InChIKey is SSRMULZETSKPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-18(17)6-5-14-12-10-4-3-9(13)7-11(10)15-8-16-12/h3-4,7-8H,2,5-6,13H2,1H3,(H,14,15,16).
What are the key properties of 4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine?
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine has a molecular weight of 264.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine is sourced from PubChem (CID 113494450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).