4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine

C17H15Cl2N5O2S — CID 147755411

IUPAC4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine
SMILESCCS(=O)(=O)c1ccc(Cl)c(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1
InChIInChI=1S/C17H15Cl2N5O2S/c1-2-27(25,26)12-4-5-13(19)14(7-12)23-16-8-17(22-10-21-16)24-15-6-3-11(18)9-20-15/h3-10H,2H2,1H3,(H2,20,21,22,23,24)
InChIKeyHDABPMRVYZZGLL-UHFFFAOYSA-N
MW424.31 g/mol
LogP4.46
Rot. Bonds6

About 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine

4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine (PubChem CID 147755411) has the molecular formula C17H15Cl2N5O2S and a molecular weight of 424.31 g/mol. Its IUPAC name is 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine
PubChem CID147755411
Molecular FormulaC17H15Cl2N5O2S
Molecular Weight424.31 g/mol
Exact Mass423.03
IUPAC Name4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine
SMILESCCS(=O)(=O)c1ccc(Cl)c(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1
InChIInChI=1S/C17H15Cl2N5O2S/c1-2-27(25,26)12-4-5-13(19)14(7-12)23-16-8-17(22-10-21-16)24-15-6-3-11(18)9-20-15/h3-10H,2H2,1H3,(H2,20,21,22,23,24)
InChIKeyHDABPMRVYZZGLL-UHFFFAOYSA-N
XLogP4.46
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[4-chloro-3-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]sulfonyl-methylamino] 2,2,2-trifluoroacetate
CID 89307016
6-N-(4-chlorophenyl)-4-N-[2-[ethyl(methyl)amino]-5-ethylsulfonylphenyl]pyrimidine-4,6-diamine
CID 158554034
6-(2,5-dichloroanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267654
4-N-[5-ethylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-6-N-(5-propan-2-yl-2-pyridinyl)pyrimidine-4,6-diamine
CID 158566706
6-[[6-[5-ethylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]pyrimidin-4-yl]amino]pyridine-3-carbonitrile
CID 158062441
3-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-N-methyl-4-(trifluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 89306733
5-chloro-N-(2-chloro-5-fluorophenyl)pyridin-2-amine
CID 107531088
6-N-(3-ethylsulfonylphenyl)-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 159988066
5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-N-methyl-4-methylsulfonylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 71139805
2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide
CID 75468067
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide
CID 124927749

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine (CID 147755411) is 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine is CCS(=O)(=O)c1ccc(Cl)c(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1.
What is the InChIKey of 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine?
The InChIKey is HDABPMRVYZZGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2S/c1-2-27(25,26)12-4-5-13(19)14(7-12)23-16-8-17(22-10-21-16)24-15-6-3-11(18)9-20-15/h3-10H,2H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine?
4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine has a molecular weight of 424.31 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 147755411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).