4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide

C19H24N6O2S — CID 141496188

IUPAC4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCn1ccc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(NC3CCCC3)c21
InChIInChI=1S/C19H24N6O2S/c1-2-25-12-11-16-17(25)18(21-13-5-3-4-6-13)24-19(23-16)22-14-7-9-15(10-8-14)28(20,26)27/h7-13H,2-6H2,1H3,(H2,20,26,27)(H2,21,22,23,24)
InChIKeyAOHABSSSSVUUDE-UHFFFAOYSA-N
MW400.51 g/mol
LogP3.20
Rot. Bonds6

About 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 141496188) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID141496188
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCn1ccc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(NC3CCCC3)c21
InChIInChI=1S/C19H24N6O2S/c1-2-25-12-11-16-17(25)18(21-13-5-3-4-6-13)24-19(23-16)22-14-7-9-15(10-8-14)28(20,26)27/h7-13H,2-6H2,1H3,(H2,20,26,27)(H2,21,22,23,24)
InChIKeyAOHABSSSSVUUDE-UHFFFAOYSA-N
XLogP3.20
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 142188527
4-[[5-bromo-4-[[(3S)-oxolan-3-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891201
4-[[4-(2-imidazol-1-ylethylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 68820842
N-[4-[[6-(cyclopentylamino)-7H-purin-9-ium-2-yl]amino]phenyl]methanesulfonamide
CID 123779762
4-[[5-methyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891102
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 11688636
4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
4-[[5-bromo-4-[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891126
4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
CID 59682688
4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]benzenesulfonamide
CID 5329603
4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine
CID 58985726
4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(1-methyltetrazol-5-yl)pyrimidine-2,4-diamine
CID 58985703

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide (CID 141496188) is 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide is CCn1ccc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(NC3CCCC3)c21.
What is the InChIKey of 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is AOHABSSSSVUUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-2-25-12-11-16-17(25)18(21-13-5-3-4-6-13)24-19(23-16)22-14-7-9-15(10-8-14)28(20,26)27/h7-13H,2-6H2,1H3,(H2,20,26,27)(H2,21,22,23,24).
What are the key properties of 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 400.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 141496188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).