4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

C180H213ClN38O3S — CID 157361419

IUPAC4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCCS(=O)(=O)c1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1C.Cc1cn(-c2ccc(Nc3ncc(C)c(Nc4cccc(C(C)(C)C)c4)n3)cc2)cn1.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C(C)N3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(CN3CCCCC3)cc2)nc1Nc1ccc(Cl)c2[nH]ccc12
InChIInChI=1S/C28H37N5.C27H34N4.C26H33N5O3S.C25H27ClN6.2C25H28N6.C24H26N6/c1-20-19-29-27(32-26(20)30-25-11-9-10-23(18-25)28(3,4)5)31-24-14-12-22(13-15-24)21(2)33-16-7-6-8-17-33;1-19-18-28-26(30-23-15-13-21(14-16-23)20-9-6-5-7-10-20)31-25(19)29-24-12-8-11-22(17-24)27(2,3)4;1-4-35(32,33)24-17-22(8-7-19(24)2)28-25-20(3)18-27-26(30-25)29-21-9-11-23(12-10-21)34-16-15-31-13-5-6-14-31;1-17-15-28-25(29-19-7-5-18(6-8-19)16-32-13-3-2-4-14-32)31-24(17)30-22-10-9-21(26)23-20(22)11-12-27-23;1-17-14-26-24(29-20-9-11-22(12-10-20)31-15-18(2)27-16-31)30-23(17)28-21-8-6-7-19(13-21)25(3,4)5;1-17-16-27-24(29-20-9-11-22(12-10-20)31-14-13-26-18(31)2)30-23(17)28-21-8-6-7-19(15-21)25(3,4)5;1-17-16-25-23(28-19-9-11-21(12-10-19)30-14-6-13-26-30)29-22(17)27-20-8-5-7-18(15-20)24(2,3)4/h9-15,18-19,21H,6-8,16-17H2,1-5H3,(H2,29,30,31,32);8,11-18,20H,5-7,9-10H2,1-4H3,(H2,28,29,30,31);7-12,17-18H,4-6,13-16H2,1-3H3,(H2,27,28,29,30);5-12,15,27H,2-4,13-14,16H2,1H3,(H2,28,29,30,31);6-16H,1-5H3,(H2,26,28,29,30);6-16H,1-5H3,(H2,27,28,29,30);5-16H,1-4H3,(H2,25,27,28,29)
InChIKeyBIRKCMJDLYXDPJ-UHFFFAOYSA-N
MW3024.47 g/mol
LogP43.86
Rot. Bonds42

About 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 157361419) has the molecular formula C180H213ClN38O3S and a molecular weight of 3024.47 g/mol. Its IUPAC name is 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID157361419
Molecular FormulaC180H213ClN38O3S
Molecular Weight3024.47 g/mol
Exact Mass3021.71
IUPAC Name4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCCS(=O)(=O)c1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1C.Cc1cn(-c2ccc(Nc3ncc(C)c(Nc4cccc(C(C)(C)C)c4)n3)cc2)cn1.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C(C)N3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(CN3CCCCC3)cc2)nc1Nc1ccc(Cl)c2[nH]ccc12
InChIInChI=1S/C28H37N5.C27H34N4.C26H33N5O3S.C25H27ClN6.2C25H28N6.C24H26N6/c1-20-19-29-27(32-26(20)30-25-11-9-10-23(18-25)28(3,4)5)31-24-14-12-22(13-15-24)21(2)33-16-7-6-8-17-33;1-19-18-28-26(30-23-15-13-21(14-16-23)20-9-6-5-7-10-20)31-25(19)29-24-12-8-11-22(17-24)27(2,3)4;1-4-35(32,33)24-17-22(8-7-19(24)2)28-25-20(3)18-27-26(30-25)29-21-9-11-23(12-10-21)34-16-15-31-13-5-6-14-31;1-17-15-28-25(29-19-7-5-18(6-8-19)16-32-13-3-2-4-14-32)31-24(17)30-22-10-9-21(26)23-20(22)11-12-27-23;1-17-14-26-24(29-20-9-11-22(12-10-20)31-15-18(2)27-16-31)30-23(17)28-21-8-6-7-19(13-21)25(3,4)5;1-17-16-27-24(29-20-9-11-22(12-10-20)31-14-13-26-18(31)2)30-23(17)28-21-8-6-7-19(15-21)25(3,4)5;1-17-16-25-23(28-19-9-11-21(12-10-19)30-14-6-13-26-30)29-22(17)27-20-8-5-7-18(15-20)24(2,3)4/h9-15,18-19,21H,6-8,16-17H2,1-5H3,(H2,29,30,31,32);8,11-18,20H,5-7,9-10H2,1-4H3,(H2,28,29,30,31);7-12,17-18H,4-6,13-16H2,1-3H3,(H2,27,28,29,30);5-12,15,27H,2-4,13-14,16H2,1H3,(H2,28,29,30,31);6-16H,1-5H3,(H2,26,28,29,30);6-16H,1-5H3,(H2,27,28,29,30);5-16H,1-4H3,(H2,25,27,28,29)
InChIKeyBIRKCMJDLYXDPJ-UHFFFAOYSA-N
XLogP43.86
TPSA471.22 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003024.47
LogP ≤ 543.86
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Analyze 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (CID 157361419) is 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is CCS(=O)(=O)c1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1C.Cc1cn(-c2ccc(Nc3ncc(C)c(Nc4cccc(C(C)(C)C)c4)n3)cc2)cn1.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C(C)N3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(CN3CCCCC3)cc2)nc1Nc1ccc(Cl)c2[nH]ccc12.
What is the InChIKey of 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is BIRKCMJDLYXDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5.C27H34N4.C26H33N5O3S.C25H27ClN6.2C25H28N6.C24H26N6/c1-20-19-29-27(32-26(20)30-25-11-9-10-23(18-25)28(3,4)5)31-24-14-12-22(13-15-24)21(2)33-16-7-6-8-17-33;1-19-18-28-26(30-23-15-13-21(14-16-23)20-9-6-5-7-10-20)31-25(19)29-24-12-8-11-22(17-24)27(2,3)4;1-4-35(32,33)24-17-22(8-7-19(24)2)28-25-20(3)18-27-26(30-25)29-21-9-11-23(12-10-21)34-16-15-31-13-5-6-14-31;1-17-15-28-25(29-19-7-5-18(6-8-19)16-32-13-3-2-4-14-32)31-24(17)30-22-10-9-21(26)23-20(22)11-12-27-23;1-17-14-26-24(29-20-9-11-22(12-10-20)31-15-18(2)27-16-31)30-23(17)28-21-8-6-7-19(13-21)25(3,4)5;1-17-16-27-24(29-20-9-11-22(12-10-20)31-14-13-26-18(31)2)30-23(17)28-21-8-6-7-19(15-21)25(3,4)5;1-17-16-25-23(28-19-9-11-21(12-10-19)30-14-6-13-26-30)29-22(17)27-20-8-5-7-18(15-20)24(2,3)4/h9-15,18-19,21H,6-8,16-17H2,1-5H3,(H2,29,30,31,32);8,11-18,20H,5-7,9-10H2,1-4H3,(H2,28,29,30,31);7-12,17-18H,4-6,13-16H2,1-3H3,(H2,27,28,29,30);5-12,15,27H,2-4,13-14,16H2,1H3,(H2,28,29,30,31);6-16H,1-5H3,(H2,26,28,29,30);6-16H,1-5H3,(H2,27,28,29,30);5-16H,1-4H3,(H2,25,27,28,29).
What are the key properties of 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 3024.47 g/mol, XLogP of 43.86, 42 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157361419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).