N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide

C23H26ClN5O3S — CID 25073489

IUPACN-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide
SMILESCOc1c(C)cc(Nc2ncc(Cl)c(Nc3cccc(NS(=O)(=O)C4CC4)c3C)n2)cc1C
InChIInChI=1S/C23H26ClN5O3S/c1-13-10-16(11-14(2)21(13)32-4)26-23-25-12-18(24)22(28-23)27-19-6-5-7-20(15(19)3)29-33(30,31)17-8-9-17/h5-7,10-12,17,29H,8-9H2,1-4H3,(H2,25,26,27,28)
InChIKeyRVLLRXKCTJEZQT-UHFFFAOYSA-N
MW488.01 g/mol
LogP5.46
Rot. Bonds8

About N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide

N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide (PubChem CID 25073489) has the molecular formula C23H26ClN5O3S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide
PubChem CID25073489
Molecular FormulaC23H26ClN5O3S
Molecular Weight488.01 g/mol
Exact Mass487.14
IUPAC NameN-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide
SMILESCOc1c(C)cc(Nc2ncc(Cl)c(Nc3cccc(NS(=O)(=O)C4CC4)c3C)n2)cc1C
InChIInChI=1S/C23H26ClN5O3S/c1-13-10-16(11-14(2)21(13)32-4)26-23-25-12-18(24)22(28-23)27-19-6-5-7-20(15(19)3)29-33(30,31)17-8-9-17/h5-7,10-12,17,29H,8-9H2,1-4H3,(H2,25,26,27,28)
InChIKeyRVLLRXKCTJEZQT-UHFFFAOYSA-N
XLogP5.46
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.01
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide 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

N-[4-[[5-chloro-2-(3-chloro-4,5-dimethoxyanilino)pyrimidin-4-yl]amino]-3-methylphenyl]cyclopropanesulfonamide
CID 25073795
N-[4-[[2-(3,4-dimethoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3-methylphenyl]cyclopropanesulfonamide
CID 25073792
N-[4-[[2-(3-ethoxy-4,5-dimethoxyanilino)-5-methylpyrimidin-4-yl]amino]-3-methylphenyl]cyclopropanesulfonamide
CID 25074095
N-[[4-[[2-(3-chloro-4-methoxy-5-methylanilino)-5-ethylpyrimidin-4-yl]amino]phenyl]methyl]cyclopropanesulfonamide
CID 67093777
N-[4-[[2-(5-chloro-2,4-dimethylanilino)-5-methylpyrimidin-4-yl]amino]-3-methylphenyl]cyclopropanesulfonamide
CID 25074098
N-[2-[[5-chloro-2-[3,4-dimethoxy-5-(2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 58236448
5-chloro-4-N-[4-[(cyclopropylsulfamoylamino)methyl]-2-methylphenyl]-2-N-(3,5-dimethyl-4-propoxyphenyl)pyrimidine-2,4-diamine
CID 67093608
[2-[[5-chloro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 90835460
5-chloro-2-(3,5-dichloro-4-methoxyanilino)-4-[2-[(dimethylsulfamoylamino)methyl]anilino]pyrimidine
CID 67093956
N-[5-chloro-2-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanesulfonamide
CID 140802738
2-(3-chloro-4-methoxy-5-methylanilino)-4-[2-[(dimethylsulfamoylamino)methyl]anilino]-5-methylpyrimidine
CID 67093520
5-chloro-2-(3,4-dimethoxy-5-methylanilino)-4-[4-[(dimethylsulfamoylamino)methyl]anilino]pyrimidine
CID 25070986

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide (CID 25073489) is N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide is COc1c(C)cc(Nc2ncc(Cl)c(Nc3cccc(NS(=O)(=O)C4CC4)c3C)n2)cc1C.
What is the InChIKey of N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide?
The InChIKey is RVLLRXKCTJEZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3S/c1-13-10-16(11-14(2)21(13)32-4)26-23-25-12-18(24)22(28-23)27-19-6-5-7-20(15(19)3)29-33(30,31)17-8-9-17/h5-7,10-12,17,29H,8-9H2,1-4H3,(H2,25,26,27,28).
What are the key properties of N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide?
N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide has a molecular weight of 488.01 g/mol, XLogP of 5.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide is sourced from PubChem (CID 25073489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).