4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane

C122H170Cl4N28OS — CID 162207442

IUPAC4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane
SMILESC.C.C.C.C.C.C.CC(C)(C)Nc1nccc(Cc2ccccc2)n1.COc1cc(N(C)c2nc(NC(C)(C)C)ncc2C)ccc1Cl.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(Cl)c1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)cc1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc2sccc2c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc2[nH]ccc12.Cc1cnc(NC(C)(C)C)nc1Nc1cccc2ccccc12
InChIInChI=1S/C19H22N4.C17H23ClN4O.C17H21N5.C17H20N4S.C15H18Cl2N4.C15H19ClN4.C15H19N3.7CH4/c1-13-12-20-18(23-19(2,3)4)22-17(13)21-16-11-7-9-14-8-5-6-10-15(14)16;1-11-10-19-16(21-17(2,3)4)20-15(11)22(5)12-7-8-13(18)14(9-12)23-6;1-11-10-19-16(22-17(2,3)4)21-15(11)20-14-7-5-6-13-12(14)8-9-18-13;1-11-10-18-16(21-17(2,3)4)20-15(11)19-13-5-6-14-12(9-13)7-8-22-14;1-9-8-18-14(21-15(2,3)4)20-13(9)19-10-5-6-11(16)12(17)7-10;1-10-9-17-14(20-15(2,3)4)19-13(10)18-12-7-5-11(16)6-8-12;1-15(2,3)18-14-16-10-9-13(17-14)11-12-7-5-4-6-8-12;;;;;;;/h5-12H,1-4H3,(H2,20,21,22,23);7-10H,1-6H3,(H,19,20,21);5-10,18H,1-4H3,(H2,19,20,21,22);5-10H,1-4H3,(H2,18,19,20,21);5-8H,1-4H3,(H2,18,19,20,21);5-9H,1-4H3,(H2,17,18,19,20);4-10H,11H2,1-3H3,(H,16,17,18);7*1H4
InChIKeyZSJSRXJVRMPUSN-UHFFFAOYSA-N
MW2218.78 g/mol
LogP35.66
Rot. Bonds22

About 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane

4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane (PubChem CID 162207442) has the molecular formula C122H170Cl4N28OS and a molecular weight of 2218.78 g/mol. Its IUPAC name is 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane.

Molecular Properties

Compound Name4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane
PubChem CID162207442
Molecular FormulaC122H170Cl4N28OS
Molecular Weight2218.78 g/mol
Exact Mass2215.26
IUPAC Name4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane
SMILESC.C.C.C.C.C.C.CC(C)(C)Nc1nccc(Cc2ccccc2)n1.COc1cc(N(C)c2nc(NC(C)(C)C)ncc2C)ccc1Cl.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(Cl)c1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)cc1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc2sccc2c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc2[nH]ccc12.Cc1cnc(NC(C)(C)C)nc1Nc1cccc2ccccc12
InChIInChI=1S/C19H22N4.C17H23ClN4O.C17H21N5.C17H20N4S.C15H18Cl2N4.C15H19ClN4.C15H19N3.7CH4/c1-13-12-20-18(23-19(2,3)4)22-17(13)21-16-11-7-9-14-8-5-6-10-15(14)16;1-11-10-19-16(21-17(2,3)4)20-15(11)22(5)12-7-8-13(18)14(9-12)23-6;1-11-10-19-16(22-17(2,3)4)21-15(11)20-14-7-5-6-13-12(14)8-9-18-13;1-11-10-18-16(21-17(2,3)4)20-15(11)19-13-5-6-14-12(9-13)7-8-22-14;1-9-8-18-14(21-15(2,3)4)20-13(9)19-10-5-6-11(16)12(17)7-10;1-10-9-17-14(20-15(2,3)4)19-13(10)18-12-7-5-11(16)6-8-12;1-15(2,3)18-14-16-10-9-13(17-14)11-12-7-5-4-6-8-12;;;;;;;/h5-12H,1-4H3,(H2,20,21,22,23);7-10H,1-6H3,(H,19,20,21);5-10,18H,1-4H3,(H2,19,20,21,22);5-10H,1-4H3,(H2,18,19,20,21);5-8H,1-4H3,(H2,18,19,20,21);5-9H,1-4H3,(H2,17,18,19,20);4-10H,11H2,1-3H3,(H,16,17,18);7*1H4
InChIKeyZSJSRXJVRMPUSN-UHFFFAOYSA-N
XLogP35.66
TPSA353.08 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002218.78
LogP ≤ 535.66
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane?
The IUPAC name of 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane (CID 162207442) is 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane.
What is the SMILES notation for 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane?
The canonical SMILES for 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane is C.C.C.C.C.C.C.CC(C)(C)Nc1nccc(Cc2ccccc2)n1.COc1cc(N(C)c2nc(NC(C)(C)C)ncc2C)ccc1Cl.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(Cl)c1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)cc1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc2sccc2c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc2[nH]ccc12.Cc1cnc(NC(C)(C)C)nc1Nc1cccc2ccccc12.
What is the InChIKey of 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane?
The InChIKey is ZSJSRXJVRMPUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4.C17H23ClN4O.C17H21N5.C17H20N4S.C15H18Cl2N4.C15H19ClN4.C15H19N3.7CH4/c1-13-12-20-18(23-19(2,3)4)22-17(13)21-16-11-7-9-14-8-5-6-10-15(14)16;1-11-10-19-16(21-17(2,3)4)20-15(11)22(5)12-7-8-13(18)14(9-12)23-6;1-11-10-19-16(22-17(2,3)4)21-15(11)20-14-7-5-6-13-12(14)8-9-18-13;1-11-10-18-16(21-17(2,3)4)20-15(11)19-13-5-6-14-12(9-13)7-8-22-14;1-9-8-18-14(21-15(2,3)4)20-13(9)19-10-5-6-11(16)12(17)7-10;1-10-9-17-14(20-15(2,3)4)19-13(10)18-12-7-5-11(16)6-8-12;1-15(2,3)18-14-16-10-9-13(17-14)11-12-7-5-4-6-8-12;;;;;;;/h5-12H,1-4H3,(H2,20,21,22,23);7-10H,1-6H3,(H,19,20,21);5-10,18H,1-4H3,(H2,19,20,21,22);5-10H,1-4H3,(H2,18,19,20,21);5-8H,1-4H3,(H2,18,19,20,21);5-9H,1-4H3,(H2,17,18,19,20);4-10H,11H2,1-3H3,(H,16,17,18);7*1H4.
What are the key properties of 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane?
4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane has a molecular weight of 2218.78 g/mol, XLogP of 35.66, 22 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzothiophen-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;4-benzyl-N-tert-butylpyrimidin-2-amine;2-N-tert-butyl-4-N-(4-chloro-3-methoxyphenyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,4-dichlorophenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine;methane is sourced from PubChem (CID 162207442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).