4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol

C164H194ClN37O20S5 — CID 159316957

IUPAC4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol
SMILESCOc1cc(N(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1Cl.COc1ccc(Nc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1.COc1ccc(Nc2ccnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)n2)cc1.COc1cccc(Nc2ccnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)n2)c1.Cc1cnc(Nc2ccc(S(=O)(=O)CCN3CCCC3)cc2)nc1Nc1ccc2c(c1)OCO2.O=S(=O)(CCCN1CCCC1)c1ccc(Nc2nccc(Nc3ccc(O)cc3)n2)cc1.O=S(=O)(NCCN1CCCC1)c1ccc(Nc2nccc(Nc3cccc(O)c3)n2)cc1
InChIInChI=1S/C25H30ClN5O2.C24H27N5O4S.C24H29N5O3S.C23H28N6O3S.C23H27N5O3S.C23H27N5O2.C22H26N6O3S/c1-18-17-27-25(29-24(18)30(2)20-8-11-22(26)23(16-20)32-3)28-19-6-9-21(10-7-19)33-15-14-31-12-4-5-13-31;1-17-15-25-24(28-23(17)26-19-6-9-21-22(14-19)33-16-32-21)27-18-4-7-20(8-5-18)34(30,31)13-12-29-10-2-3-11-29;1-32-21-9-5-19(6-10-21)26-23-13-14-25-24(28-23)27-20-7-11-22(12-8-20)33(30,31)18-4-17-29-15-2-3-16-29;1-32-20-6-4-5-19(17-20)26-22-11-12-24-23(28-22)27-18-7-9-21(10-8-18)33(30,31)25-13-16-29-14-2-3-15-29;29-20-8-4-18(5-9-20)25-22-12-13-24-23(27-22)26-19-6-10-21(11-7-19)32(30,31)17-3-16-28-14-1-2-15-28;1-29-20-8-4-18(5-9-20)25-22-12-13-24-23(27-22)26-19-6-10-21(11-7-19)30-17-16-28-14-2-3-15-28;29-19-5-3-4-18(16-19)25-21-10-11-23-22(27-21)26-17-6-8-20(9-7-17)32(30,31)24-12-15-28-13-1-2-14-28/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,28,29);4-9,14-15H,2-3,10-13,16H2,1H3,(H2,25,26,27,28);5-14H,2-4,15-18H2,1H3,(H2,25,26,27,28);4-12,17,25H,2-3,13-16H2,1H3,(H2,24,26,27,28);4-13,29H,1-3,14-17H2,(H2,24,25,26,27);4-13H,2-3,14-17H2,1H3,(H2,24,25,26,27);3-11,16,24,29H,1-2,12-15H2,(H2,23,25,26,27)
InChIKeyLDGKSIYQFQKMPW-UHFFFAOYSA-N
MW3199.38 g/mol
LogP28.30
Rot. Bonds64

About 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol

4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol (PubChem CID 159316957) has the molecular formula C164H194ClN37O20S5 and a molecular weight of 3199.38 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol
PubChem CID159316957
Molecular FormulaC164H194ClN37O20S5
Molecular Weight3199.38 g/mol
Exact Mass3196.36
IUPAC Name4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol
SMILESCOc1cc(N(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1Cl.COc1ccc(Nc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1.COc1ccc(Nc2ccnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)n2)cc1.COc1cccc(Nc2ccnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)n2)c1.Cc1cnc(Nc2ccc(S(=O)(=O)CCN3CCCC3)cc2)nc1Nc1ccc2c(c1)OCO2.O=S(=O)(CCCN1CCCC1)c1ccc(Nc2nccc(Nc3ccc(O)cc3)n2)cc1.O=S(=O)(NCCN1CCCC1)c1ccc(Nc2nccc(Nc3cccc(O)c3)n2)cc1
InChIInChI=1S/C25H30ClN5O2.C24H27N5O4S.C24H29N5O3S.C23H28N6O3S.C23H27N5O3S.C23H27N5O2.C22H26N6O3S/c1-18-17-27-25(29-24(18)30(2)20-8-11-22(26)23(16-20)32-3)28-19-6-9-21(10-7-19)33-15-14-31-12-4-5-13-31;1-17-15-25-24(28-23(17)26-19-6-9-21-22(14-19)33-16-32-21)27-18-4-7-20(8-5-18)34(30,31)13-12-29-10-2-3-11-29;1-32-21-9-5-19(6-10-21)26-23-13-14-25-24(28-23)27-20-7-11-22(12-8-20)33(30,31)18-4-17-29-15-2-3-16-29;1-32-20-6-4-5-19(17-20)26-22-11-12-24-23(28-22)27-18-7-9-21(10-8-18)33(30,31)25-13-16-29-14-2-3-15-29;29-20-8-4-18(5-9-20)25-22-12-13-24-23(27-22)26-19-6-10-21(11-7-19)32(30,31)17-3-16-28-14-1-2-15-28;1-29-20-8-4-18(5-9-20)25-22-12-13-24-23(27-22)26-19-6-10-21(11-7-19)30-17-16-28-14-2-3-15-28;29-19-5-3-4-18(16-19)25-21-10-11-23-22(27-21)26-17-6-8-20(9-7-17)32(30,31)24-12-15-28-13-1-2-14-28/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,28,29);4-9,14-15H,2-3,10-13,16H2,1H3,(H2,25,26,27,28);5-14H,2-4,15-18H2,1H3,(H2,25,26,27,28);4-12,17,25H,2-3,13-16H2,1H3,(H2,24,26,27,28);4-13,29H,1-3,14-17H2,(H2,24,25,26,27);4-13H,2-3,14-17H2,1H3,(H2,24,25,26,27);3-11,16,24,29H,1-2,12-15H2,(H2,23,25,26,27)
InChIKeyLDGKSIYQFQKMPW-UHFFFAOYSA-N
XLogP28.30
TPSA671.83 Ų
H-Bond Donors17
H-Bond Acceptors55
Rotatable Bonds64
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003199.38
LogP ≤ 528.30
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol?
The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol (CID 159316957) is 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol is COc1cc(N(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1Cl.COc1ccc(Nc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1.COc1ccc(Nc2ccnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)n2)cc1.COc1cccc(Nc2ccnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)n2)c1.Cc1cnc(Nc2ccc(S(=O)(=O)CCN3CCCC3)cc2)nc1Nc1ccc2c(c1)OCO2.O=S(=O)(CCCN1CCCC1)c1ccc(Nc2nccc(Nc3ccc(O)cc3)n2)cc1.O=S(=O)(NCCN1CCCC1)c1ccc(Nc2nccc(Nc3cccc(O)c3)n2)cc1.
What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol?
The InChIKey is LDGKSIYQFQKMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2.C24H27N5O4S.C24H29N5O3S.C23H28N6O3S.C23H27N5O3S.C23H27N5O2.C22H26N6O3S/c1-18-17-27-25(29-24(18)30(2)20-8-11-22(26)23(16-20)32-3)28-19-6-9-21(10-7-19)33-15-14-31-12-4-5-13-31;1-17-15-25-24(28-23(17)26-19-6-9-21-22(14-19)33-16-32-21)27-18-4-7-20(8-5-18)34(30,31)13-12-29-10-2-3-11-29;1-32-21-9-5-19(6-10-21)26-23-13-14-25-24(28-23)27-20-7-11-22(12-8-20)33(30,31)18-4-17-29-15-2-3-16-29;1-32-20-6-4-5-19(17-20)26-22-11-12-24-23(28-22)27-18-7-9-21(10-8-18)33(30,31)25-13-16-29-14-2-3-15-29;29-20-8-4-18(5-9-20)25-22-12-13-24-23(27-22)26-19-6-10-21(11-7-19)32(30,31)17-3-16-28-14-1-2-15-28;1-29-20-8-4-18(5-9-20)25-22-12-13-24-23(27-22)26-19-6-10-21(11-7-19)30-17-16-28-14-2-3-15-28;29-19-5-3-4-18(16-19)25-21-10-11-23-22(27-21)26-17-6-8-20(9-7-17)32(30,31)24-12-15-28-13-1-2-14-28/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,28,29);4-9,14-15H,2-3,10-13,16H2,1H3,(H2,25,26,27,28);5-14H,2-4,15-18H2,1H3,(H2,25,26,27,28);4-12,17,25H,2-3,13-16H2,1H3,(H2,24,26,27,28);4-13,29H,1-3,14-17H2,(H2,24,25,26,27);4-13H,2-3,14-17H2,1H3,(H2,24,25,26,27);3-11,16,24,29H,1-2,12-15H2,(H2,23,25,26,27).
What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol?
4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol has a molecular weight of 3199.38 g/mol, XLogP of 28.30, 64 rotatable bonds, 17 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-[[4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-N-(4-methoxyphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-methoxyphenyl)-2-N-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 159316957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).