6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine

C13H18N6O2S — CID 516579

IUPAC6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine
SMILESCN1CCN(S(=O)(=O)c2ccc3nc(N)nc(N)c3c2)CC1
InChIInChI=1S/C13H18N6O2S/c1-18-4-6-19(7-5-18)22(20,21)9-2-3-11-10(8-9)12(14)17-13(15)16-11/h2-3,8H,4-7H2,1H3,(H4,14,15,16,17)
InChIKeyWJIPXNDWOWNFHN-UHFFFAOYSA-N
MW322.39 g/mol
LogP-0.27
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine

6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine (PubChem CID 516579) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine
PubChem CID516579
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC Name6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine
SMILESCN1CCN(S(=O)(=O)c2ccc3nc(N)nc(N)c3c2)CC1
InChIInChI=1S/C13H18N6O2S/c1-18-4-6-19(7-5-18)22(20,21)9-2-3-11-10(8-9)12(14)17-13(15)16-11/h2-3,8H,4-7H2,1H3,(H4,14,15,16,17)
InChIKeyWJIPXNDWOWNFHN-UHFFFAOYSA-N
XLogP-0.27
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinazoline-2,4-diamine
CID 516587
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012947
[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 28716722
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
CID 110760387
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 82843705
1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole
CID 169298772
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
5-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline
CID 82854410
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine (CID 516579) is 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine is CN1CCN(S(=O)(=O)c2ccc3nc(N)nc(N)c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine?
The InChIKey is WJIPXNDWOWNFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-18-4-6-19(7-5-18)22(20,21)9-2-3-11-10(8-9)12(14)17-13(15)16-11/h2-3,8H,4-7H2,1H3,(H4,14,15,16,17).
What are the key properties of 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine?
6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine has a molecular weight of 322.39 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine is sourced from PubChem (CID 516579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).