4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

C19H19Cl2N5O2S — CID 118559221

IUPAC4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1c(Cl)cc(Cl)cc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1
InChIInChI=1S/C19H19Cl2N5O2S/c1-11-15(8-13(20)9-16(11)21)17-10-18(26-19(22)25-17)24-7-6-12-2-4-14(5-3-12)29(23,27)28/h2-5,8-10H,6-7H2,1H3,(H2,23,27,28)(H3,22,24,25,26)
InChIKeyWJPQCSMFPFGUQS-UHFFFAOYSA-N
MW452.37 g/mol
LogP3.64
Rot. Bonds6

About 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 118559221) has the molecular formula C19H19Cl2N5O2S and a molecular weight of 452.37 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID118559221
Molecular FormulaC19H19Cl2N5O2S
Molecular Weight452.37 g/mol
Exact Mass451.06
IUPAC Name4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1c(Cl)cc(Cl)cc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1
InChIInChI=1S/C19H19Cl2N5O2S/c1-11-15(8-13(20)9-16(11)21)17-10-18(26-19(22)25-17)24-7-6-12-2-4-14(5-3-12)29(23,27)28/h2-5,8-10H,6-7H2,1H3,(H2,23,27,28)(H3,22,24,25,26)
InChIKeyWJPQCSMFPFGUQS-UHFFFAOYSA-N
XLogP3.64
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzenesulfonamide
CID 118559397
N-[4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 118559488
5-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzene-1,2,3-triol
CID 118559241
1-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea
CID 118559510
2,2-dimethylpropyl N-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
CID 118559536
4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
CID 159279676
N-[amino-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]methyl]hydroxylamine
CID 118567910
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]-N-methylbenzenesulfonamide
CID 118559448
3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 118559286
4-[2-[[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 118559526
6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenoxy)ethyl]pyrimidine-2,4-diamine
CID 151725851

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 118559221) is 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is Cc1c(Cl)cc(Cl)cc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.
What is the InChIKey of 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is WJPQCSMFPFGUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2S/c1-11-15(8-13(20)9-16(11)21)17-10-18(26-19(22)25-17)24-7-6-12-2-4-14(5-3-12)29(23,27)28/h2-5,8-10H,6-7H2,1H3,(H2,23,27,28)(H3,22,24,25,26).
What are the key properties of 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 452.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 118559221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).