5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C102H129N21O10S3 — CID 159160813

IUPAC5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(N2CCNCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(NCCN2CCOCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C35H45N7O4S.C34H43N7O3S.C33H41N7O3S/c1-23(2)46-31-19-25(5)28(27-11-12-33(37-22-27)36-13-14-42-15-17-45-18-16-42)20-30(31)40-35-38-21-26(6)34(41-35)39-29-9-7-8-10-32(29)47(43,44)24(3)4;1-22(2)44-30-18-24(5)27(26-12-13-35-32(19-26)41-16-14-40(7)15-17-41)20-29(30)38-34-36-21-25(6)33(39-34)37-28-10-8-9-11-31(28)45(42,43)23(3)4;1-21(2)43-29-17-23(5)26(25-11-12-31(35-20-25)40-15-13-34-14-16-40)18-28(29)38-33-36-19-24(6)32(39-33)37-27-9-7-8-10-30(27)44(41,42)22(3)4/h7-12,19-24H,13-18H2,1-6H3,(H,36,37)(H2,38,39,40,41);8-13,18-23H,14-17H2,1-7H3,(H2,36,37,38,39);7-12,17-22,34H,13-16H2,1-6H3,(H2,36,37,38,39)
InChIKeyKKLOTJSOAIXBII-UHFFFAOYSA-N
MW1905.49 g/mol
LogP18.74
Rot. Bonds33

About 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 159160813) has the molecular formula C102H129N21O10S3 and a molecular weight of 1905.49 g/mol. Its IUPAC name is 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID159160813
Molecular FormulaC102H129N21O10S3
Molecular Weight1905.49 g/mol
Exact Mass1903.94
IUPAC Name5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(N2CCNCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(NCCN2CCOCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C35H45N7O4S.C34H43N7O3S.C33H41N7O3S/c1-23(2)46-31-19-25(5)28(27-11-12-33(37-22-27)36-13-14-42-15-17-45-18-16-42)20-30(31)40-35-38-21-26(6)34(41-35)39-29-9-7-8-10-32(29)47(43,44)24(3)4;1-22(2)44-30-18-24(5)27(26-12-13-35-32(19-26)41-16-14-40(7)15-17-41)20-29(30)38-34-36-21-25(6)33(39-34)37-28-10-8-9-11-31(28)45(42,43)23(3)4;1-21(2)43-29-17-23(5)26(25-11-12-31(35-20-25)40-15-13-34-14-16-40)18-28(29)38-33-36-19-24(6)32(39-33)37-27-9-7-8-10-30(27)44(41,42)22(3)4/h7-12,19-24H,13-18H2,1-6H3,(H,36,37)(H2,38,39,40,41);8-13,18-23H,14-17H2,1-7H3,(H2,36,37,38,39);7-12,17-22,34H,13-16H2,1-6H3,(H2,36,37,38,39)
InChIKeyKKLOTJSOAIXBII-UHFFFAOYSA-N
XLogP18.74
TPSA364.55 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.49
LogP ≤ 518.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-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

Ceritinib
CID 57379345
Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-isopropoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine
CID 102593972
5-chloro-2-N-[(6E)-3-methoxy-5,5-dimethyl-6-(4-methylpiperazin-1-yl)imino-7,8-dihydronaphthalen-2-yl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 127030999
N-(2-(2-(3-(4-(4-((5-Chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidin-1-yl)propanamido)ethoxy)ethyl)acrylamide
CID 162654290
5-methyl-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 25160153
5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 25160155
1-(4-(4-(5-Chloro-4-(2-(isopropylsulfonyl)phenylamino)pyrimidin-2-ylamino)-5-isopropoxy-2-methylphenyl)piperidin-1-yl)-2-(dimethylamino)ethanone
CID 58290872
2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 58374562
5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 59764418
5-chloro-2-N-(2-cyclobutyloxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 59764433
2-[4-(4-{5-Chloro-4-[2-(propane-2-sulfonyl)-phenylamino]-pyrimidin-2-ylamino}-5-isopropoxy-2-methyl-phenyl)-piperidin-1-yl]-ethanol
CID 59764460
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
CID 59764524

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 159160813) is 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(N2CCNCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccc(NCCN2CCOCC2)nc1.Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is KKLOTJSOAIXBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N7O4S.C34H43N7O3S.C33H41N7O3S/c1-23(2)46-31-19-25(5)28(27-11-12-33(37-22-27)36-13-14-42-15-17-45-18-16-42)20-30(31)40-35-38-21-26(6)34(41-35)39-29-9-7-8-10-32(29)47(43,44)24(3)4;1-22(2)44-30-18-24(5)27(26-12-13-35-32(19-26)41-16-14-40(7)15-17-41)20-29(30)38-34-36-21-25(6)33(39-34)37-28-10-8-9-11-31(28)45(42,43)23(3)4;1-21(2)43-29-17-23(5)26(25-11-12-31(35-20-25)40-15-13-34-14-16-40)18-28(29)38-33-36-19-24(6)32(39-33)37-27-9-7-8-10-30(27)44(41,42)22(3)4/h7-12,19-24H,13-18H2,1-6H3,(H,36,37)(H2,38,39,40,41);8-13,18-23H,14-17H2,1-7H3,(H2,36,37,38,39);7-12,17-22,34H,13-16H2,1-6H3,(H2,36,37,38,39).
What are the key properties of 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1905.49 g/mol, XLogP of 18.74, 33 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[4-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159160813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).