4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide

C17H23N5O2S — CID 91793394

IUPAC4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H23N5O2S/c1-11-21-16(13-8-14(18)9-13)10-17(22-11)20-7-6-12-2-4-15(5-3-12)25(19,23)24/h2-5,10,13-14H,6-9,18H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyYQXKDJWJHAKCMJ-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.29
Rot. Bonds6

About 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide

4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 91793394) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID91793394
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H23N5O2S/c1-11-21-16(13-8-14(18)9-13)10-17(22-11)20-7-6-12-2-4-15(5-3-12)25(19,23)24/h2-5,10,13-14H,6-9,18H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyYQXKDJWJHAKCMJ-UHFFFAOYSA-N
XLogP1.29
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride
CID 154902680
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112913985
4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154903345
N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109362549
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 118559221

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 91793394) is 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide is Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(C2CC(N)C2)n1.
What is the InChIKey of 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is YQXKDJWJHAKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11-21-16(13-8-14(18)9-13)10-17(22-11)20-7-6-12-2-4-15(5-3-12)25(19,23)24/h2-5,10,13-14H,6-9,18H2,1H3,(H2,19,23,24)(H,20,21,22).
What are the key properties of 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 91793394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).