1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate

C134H151Cl4FN30O7S — CID 159257311

About 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate

1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate (PubChem CID 159257311) has the molecular formula C134H151Cl4FN30O7S and a molecular weight of 2486.76 g/mol. Its IUPAC name is 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate.

Molecular Properties

• Compound Name: 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate
• PubChem CID: 159257311
• Molecular Formula: C134H151Cl4FN30O7S
• Molecular Weight: 2486.76 g/mol
• Exact Mass: 2483.08
• IUPAC Name: 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate
• SMILES: C=CCNC(=O)Nc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.CCOC(=O)NC(=O)Nc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NC(=O)NC(C)(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(S(C)(=O)=O)c2)nc(N)n1.Cc1cccc(-c2cc(NCCCc3ccc(N)cc3F)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(N)nc3)nc(N)n2)c1C
• InChI: InChI=1S/C25H30ClN5O.C24H26ClN5O3.C24H26ClN5O.C21H24FN5.C20H21ClN4O2S.C20H24N6/c1-16-20(9-6-10-21(16)26)22-15-19(28-23(27)30-22)8-5-7-17-11-13-18(14-12-17)29-24(32)31-25(2,3)4;1-3-33-24(32)30-23(31)28-17-12-10-16(11-13-17)6-4-7-18-14-21(29-22(26)27-18)19-8-5-9-20(25)15(19)2;1-3-14-27-24(31)29-18-12-10-17(11-13-18)6-4-7-19-15-22(30-23(26)28-19)20-8-5-9-21(25)16(20)2;1-13-5-3-7-17(14(13)2)19-12-20(27-21(24)26-19)25-10-4-6-15-8-9-16(23)11-18(15)22;1-13-16(7-4-8-17(13)21)18-12-19(25-20(22)24-18)23-10-9-14-5-3-6-15(11-14)28(2,26)27;1-13-5-3-7-16(14(13)2)17-11-19(26-20(22)25-17)23-10-4-6-15-8-9-18(21)24-12-15/h6,9-15H,5,7-8H2,1-4H3,(H2,27,28,30)(H2,29,31,32);5,8-14H,3-4,6-7H2,1-2H3,(H2,26,27,29)(H2,28,30,31,32);3,5,8-13,15H,1,4,6-7,14H2,2H3,(H2,26,28,30)(H2,27,29,31);3,5,7-9,11-12H,4,6,10,23H2,1-2H3,(H3,24,25,26,27);3-8,11-12H,9-10H2,1-2H3,(H3,22,23,24,25);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H2,21,24)(H3,22,23,25,26)
• InChIKey: KWBFYPXDVGPMMN-UHFFFAOYSA-N
• XLogP: 27.31
• TPSA: 595.65 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 31
• Rotatable Bonds: 39
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2486.76
LogP ≤ 5	27.31
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate?

The IUPAC name of 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate (CID 159257311) is 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate.

What is the SMILES notation for 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate?

The canonical SMILES for 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate is C=CCNC(=O)Nc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.CCOC(=O)NC(=O)Nc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NC(=O)NC(C)(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(S(C)(=O)=O)c2)nc(N)n1.Cc1cccc(-c2cc(NCCCc3ccc(N)cc3F)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(N)nc3)nc(N)n2)c1C.

What is the InChIKey of 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate?

The InChIKey is KWBFYPXDVGPMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O.C24H26ClN5O3.C24H26ClN5O.C21H24FN5.C20H21ClN4O2S.C20H24N6/c1-16-20(9-6-10-21(16)26)22-15-19(28-23(27)30-22)8-5-7-17-11-13-18(14-12-17)29-24(32)31-25(2,3)4;1-3-33-24(32)30-23(31)28-17-12-10-16(11-13-17)6-4-7-18-14-21(29-22(26)27-18)19-8-5-9-20(25)15(19)2;1-3-14-27-24(31)29-18-12-10-17(11-13-18)6-4-7-19-15-22(30-23(26)28-19)20-8-5-9-21(25)16(20)2;1-13-5-3-7-17(14(13)2)19-12-20(27-21(24)26-19)25-10-4-6-15-8-9-16(23)11-18(15)22;1-13-16(7-4-8-17(13)21)18-12-19(25-20(22)24-18)23-10-9-14-5-3-6-15(11-14)28(2,26)27;1-13-5-3-7-16(14(13)2)17-11-19(26-20(22)25-17)23-10-4-6-15-8-9-18(21)24-12-15/h6,9-15H,5,7-8H2,1-4H3,(H2,27,28,30)(H2,29,31,32);5,8-14H,3-4,6-7H2,1-2H3,(H2,26,27,29)(H2,28,30,31,32);3,5,8-13,15H,1,4,6-7,14H2,2H3,(H2,26,28,30)(H2,27,29,31);3,5,7-9,11-12H,4,6,10,23H2,1-2H3,(H3,24,25,26,27);3-8,11-12H,9-10H2,1-2H3,(H3,22,23,24,25);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H2,21,24)(H3,22,23,25,26).

What are the key properties of 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate?

1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate has a molecular weight of 2486.76 g/mol, XLogP of 27.31, 39 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate is sourced from PubChem (CID 159257311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).