N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate

C140H163Cl6N29O10S3 — CID 161413225

IUPACN-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
SMILESCc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)CC(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C3CC3)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)NC(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OC(C)(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NS(=O)(=O)CC(C)C)c2)nc(N)n1
InChIInChI=1S/C24H28ClN5O2.C24H29ClN4O2S.C23H27ClN6O.C23H28ClN5O2S.C23H24ClN5O.C23H27ClN4O2S/c1-15-18(9-6-10-19(15)25)20-14-21(30-22(26)29-20)27-12-11-16-7-5-8-17(13-16)28-23(31)32-24(2,3)4;1-16(2)15-32(30,31)29-19-12-10-18(11-13-19)6-4-7-20-14-23(28-24(26)27-20)21-8-5-9-22(25)17(21)3;1-14(2)27-23(31)28-17-7-4-6-16(12-17)10-11-26-21-13-20(29-22(25)30-21)18-8-5-9-19(24)15(18)3;1-15(2)14-32(30,31)29-18-7-4-6-17(12-18)10-11-26-22-13-21(27-23(25)28-22)19-8-5-9-20(24)16(19)3;1-14-18(6-3-7-19(14)24)20-13-21(29-23(25)28-20)26-11-10-15-4-2-5-17(12-15)27-22(30)16-8-9-16;1-15(2)31(29,30)28-18-12-10-17(11-13-18)6-4-7-19-14-22(27-23(25)26-19)20-8-5-9-21(24)16(20)3/h5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);5,8-14,16,29H,4,6-7,15H2,1-3H3,(H2,26,27,28);4-9,12-14H,10-11H2,1-3H3,(H2,27,28,31)(H3,25,26,29,30);4-9,12-13,15,29H,10-11,14H2,1-3H3,(H3,25,26,27,28);2-7,12-13,16H,8-11H2,1H3,(H,27,30)(H3,25,26,28,29);5,8-15,28H,4,6-7H2,1-3H3,(H2,25,26,27)
InChIKeyVVTBVRMQTNGWCV-UHFFFAOYSA-N
MW2720.96 g/mol
LogP30.27
Rot. Bonds46

About N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate

N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate (PubChem CID 161413225) has the molecular formula C140H163Cl6N29O10S3 and a molecular weight of 2720.96 g/mol. Its IUPAC name is N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate.

Molecular Properties

Compound NameN-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
PubChem CID161413225
Molecular FormulaC140H163Cl6N29O10S3
Molecular Weight2720.96 g/mol
Exact Mass2716.04
IUPAC NameN-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
SMILESCc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)CC(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C3CC3)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)NC(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OC(C)(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NS(=O)(=O)CC(C)C)c2)nc(N)n1
InChIInChI=1S/C24H28ClN5O2.C24H29ClN4O2S.C23H27ClN6O.C23H28ClN5O2S.C23H24ClN5O.C23H27ClN4O2S/c1-15-18(9-6-10-19(15)25)20-14-21(30-22(26)29-20)27-12-11-16-7-5-8-17(13-16)28-23(31)32-24(2,3)4;1-16(2)15-32(30,31)29-19-12-10-18(11-13-19)6-4-7-20-14-23(28-24(26)27-20)21-8-5-9-22(25)17(21)3;1-14(2)27-23(31)28-17-7-4-6-16(12-17)10-11-26-21-13-20(29-22(25)30-21)18-8-5-9-19(24)15(18)3;1-15(2)14-32(30,31)29-18-7-4-6-17(12-18)10-11-26-22-13-21(27-23(25)28-22)19-8-5-9-20(24)16(19)3;1-14-18(6-3-7-19(14)24)20-13-21(29-23(25)28-20)26-11-10-15-4-2-5-17(12-15)27-22(30)16-8-9-16;1-15(2)31(29,30)28-18-12-10-17(11-13-18)6-4-7-19-14-22(27-23(25)26-19)20-8-5-9-21(24)16(20)3/h5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);5,8-14,16,29H,4,6-7,15H2,1-3H3,(H2,26,27,28);4-9,12-14H,10-11H2,1-3H3,(H2,27,28,31)(H3,25,26,29,30);4-9,12-13,15,29H,10-11,14H2,1-3H3,(H3,25,26,27,28);2-7,12-13,16H,8-11H2,1H3,(H,27,30)(H3,25,26,28,29);5,8-15,28H,4,6-7H2,1-3H3,(H2,25,26,27)
InChIKeyVVTBVRMQTNGWCV-UHFFFAOYSA-N
XLogP30.27
TPSA605.99 Ų
H-Bond Donors17
H-Bond Acceptors32
Rotatable Bonds46
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002720.96
LogP ≤ 530.27
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1032

Analyze N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate with MolForge

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Related Compounds

4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
CID 158188002
N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone
CID 159817988
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzonitrile;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;4-ethyl-6-(2-phenylethynyl)pyrimidin-2-amine
CID 160926863

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?
The IUPAC name of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate (CID 161413225) is N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate.
What is the SMILES notation for N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?
The canonical SMILES for N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate is Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)CC(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C3CC3)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)NC(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OC(C)(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NS(=O)(=O)CC(C)C)c2)nc(N)n1.
What is the InChIKey of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?
The InChIKey is VVTBVRMQTNGWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2.C24H29ClN4O2S.C23H27ClN6O.C23H28ClN5O2S.C23H24ClN5O.C23H27ClN4O2S/c1-15-18(9-6-10-19(15)25)20-14-21(30-22(26)29-20)27-12-11-16-7-5-8-17(13-16)28-23(31)32-24(2,3)4;1-16(2)15-32(30,31)29-19-12-10-18(11-13-19)6-4-7-20-14-23(28-24(26)27-20)21-8-5-9-22(25)17(21)3;1-14(2)27-23(31)28-17-7-4-6-16(12-17)10-11-26-21-13-20(29-22(25)30-21)18-8-5-9-19(24)15(18)3;1-15(2)14-32(30,31)29-18-7-4-6-17(12-18)10-11-26-22-13-21(27-23(25)28-22)19-8-5-9-20(24)16(19)3;1-14-18(6-3-7-19(14)24)20-13-21(29-23(25)28-20)26-11-10-15-4-2-5-17(12-15)27-22(30)16-8-9-16;1-15(2)31(29,30)28-18-12-10-17(11-13-18)6-4-7-19-14-22(27-23(25)26-19)20-8-5-9-21(24)16(20)3/h5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);5,8-14,16,29H,4,6-7,15H2,1-3H3,(H2,26,27,28);4-9,12-14H,10-11H2,1-3H3,(H2,27,28,31)(H3,25,26,29,30);4-9,12-13,15,29H,10-11,14H2,1-3H3,(H3,25,26,27,28);2-7,12-13,16H,8-11H2,1H3,(H,27,30)(H3,25,26,28,29);5,8-15,28H,4,6-7H2,1-3H3,(H2,25,26,27).
What are the key properties of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?
N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate has a molecular weight of 2720.96 g/mol, XLogP of 30.27, 46 rotatable bonds, 17 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate is sourced from PubChem (CID 161413225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).