5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine

C61H86ClN11O6S2 — CID 143775056

IUPAC5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine
SMILESCC.Cc1c(N)nc(Nc2ccc(N3CCC(C)CC3)cc2OC(C)C)nc1Nc1ccccc1S(=O)(=O)C(C)C.Cc1cc(Nc2nc(C)c(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCCN(C)C1
InChIInChI=1S/C30H40ClN5O3S.C29H40N6O3S.C2H6/c1-18(2)39-26-16-23(22-11-10-14-36(7)17-22)20(5)15-25(26)34-30-32-21(6)28(31)29(35-30)33-24-12-8-9-13-27(24)40(37,38)19(3)4;1-18(2)38-25-17-22(35-15-13-20(5)14-16-35)11-12-23(25)32-29-33-27(30)21(6)28(34-29)31-24-9-7-8-10-26(24)39(36,37)19(3)4;1-2/h8-9,12-13,15-16,18-19,22H,10-11,14,17H2,1-7H3,(H2,32,33,34,35);7-12,17-20H,13-16H2,1-6H3,(H4,30,31,32,33,34);1-2H3
InChIKeyYTJDAFQITWVWQK-UHFFFAOYSA-N
MW1169.02 g/mol
LogP14.10
Rot. Bonds18

About 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine

5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 143775056) has the molecular formula C61H86ClN11O6S2 and a molecular weight of 1169.02 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine
PubChem CID143775056
Molecular FormulaC61H86ClN11O6S2
Molecular Weight1169.02 g/mol
Exact Mass1167.59
IUPAC Name5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine
SMILESCC.Cc1c(N)nc(Nc2ccc(N3CCC(C)CC3)cc2OC(C)C)nc1Nc1ccccc1S(=O)(=O)C(C)C.Cc1cc(Nc2nc(C)c(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCCN(C)C1
InChIInChI=1S/C30H40ClN5O3S.C29H40N6O3S.C2H6/c1-18(2)39-26-16-23(22-11-10-14-36(7)17-22)20(5)15-25(26)34-30-32-21(6)28(31)29(35-30)33-24-12-8-9-13-27(24)40(37,38)19(3)4;1-18(2)38-25-17-22(35-15-13-20(5)14-16-35)11-12-23(25)32-29-33-27(30)21(6)28(34-29)31-24-9-7-8-10-26(24)39(36,37)19(3)4;1-2/h8-9,12-13,15-16,18-19,22H,10-11,14,17H2,1-7H3,(H2,32,33,34,35);7-12,17-20H,13-16H2,1-6H3,(H4,30,31,32,33,34);1-2H3
InChIKeyYTJDAFQITWVWQK-UHFFFAOYSA-N
XLogP14.10
TPSA218.92 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001169.02
LogP ≤ 514.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine 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

5-methyl-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine
CID 59764421
1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidine-4-carboxamide
CID 25226117
2-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrrolo[2,3-d]pyrimidine-2,4,7-triamine
CID 121296883
5-iodo-2-N-[5-methyl-4-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71088651
5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 158562660
6-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 25160544
5-chloro-2-N-(2-ethoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine
CID 25225945
5-[4-[3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171094350
5-chloro-2-N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71764219
4-[4-[3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]azetidin-1-yl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
CID 171094266
5-chloro-4-N-(2-cyclobutylsulfonylphenyl)-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine
CID 25159617
2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71764604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine (CID 143775056) is 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine is CC.Cc1c(N)nc(Nc2ccc(N3CCC(C)CC3)cc2OC(C)C)nc1Nc1ccccc1S(=O)(=O)C(C)C.Cc1cc(Nc2nc(C)c(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCCN(C)C1.
What is the InChIKey of 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is YTJDAFQITWVWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40ClN5O3S.C29H40N6O3S.C2H6/c1-18(2)39-26-16-23(22-11-10-14-36(7)17-22)20(5)15-25(26)34-30-32-21(6)28(31)29(35-30)33-24-12-8-9-13-27(24)40(37,38)19(3)4;1-18(2)38-25-17-22(35-15-13-20(5)14-16-35)11-12-23(25)32-29-33-27(30)21(6)28(34-29)31-24-9-7-8-10-26(24)39(36,37)19(3)4;1-2/h8-9,12-13,15-16,18-19,22H,10-11,14,17H2,1-7H3,(H2,32,33,34,35);7-12,17-20H,13-16H2,1-6H3,(H4,30,31,32,33,34);1-2H3.
What are the key properties of 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine?
5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 1169.02 g/mol, XLogP of 14.10, 18 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-3-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethane;5-methyl-2-N-[4-(4-methylpiperidin-1-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 143775056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).