[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate

C185H276F3N47O8 — CID 159697407

IUPAC[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCC(C)(C)C(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CC(C)CC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCOC(=O)N1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(N2CCN(C(=O)OCc3ccccc3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)C3CC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
InChIInChI=1S/C34H47N7O2.C33H44F3N9O.2C30H48N8O.C29H44N8O.C29H45N7O2/c1-27-23-32(40-19-21-41(22-20-40)34(42)43-26-30-9-4-2-5-10-30)39-33(38-27)37-25-29-15-13-28(14-16-29)24-35-17-8-18-36-31-11-6-3-7-12-31;34-33(35,36)26-6-4-9-28(20-26)41-32(46)45-18-16-44(17-19-45)30-21-29(37)42-31(43-30)40-23-25-12-10-24(11-13-25)22-38-14-5-15-39-27-7-2-1-3-8-27;1-30(2,3)28(39)38-18-16-37(17-19-38)27-20-26(31)35-29(36-27)34-22-24-12-10-23(11-13-24)21-32-14-7-15-33-25-8-5-4-6-9-25;1-23(2)19-29(39)38-17-15-37(16-18-38)28-20-27(31)35-30(36-28)34-22-25-11-9-24(10-12-25)21-32-13-6-14-33-26-7-4-3-5-8-26;30-26-19-27(36-15-17-37(18-16-36)28(38)24-11-12-24)35-29(34-26)33-21-23-9-7-22(8-10-23)20-31-13-4-14-32-25-5-2-1-3-6-25;1-3-38-29(37)36-18-16-35(17-19-36)27-20-23(2)33-28(34-27)32-22-25-12-10-24(11-13-25)21-30-14-7-15-31-26-8-5-4-6-9-26/h2,4-5,9-10,13-16,23,31,35-36H,3,6-8,11-12,17-22,24-26H2,1H3,(H,37,38,39);4,6,9-13,20-21,27,38-39H,1-3,5,7-8,14-19,22-23H2,(H,41,46)(H3,37,40,42,43);10-13,20,25,32-33H,4-9,14-19,21-22H2,1-3H3,(H3,31,34,35,36);9-12,20,23,26,32-33H,3-8,13-19,21-22H2,1-2H3,(H3,31,34,35,36);7-10,19,24-25,31-32H,1-6,11-18,20-21H2,(H3,30,33,34,35);10-13,20,26,30-31H,3-9,14-19,21-22H2,1-2H3,(H,32,33,34)
InChIKeyMXEOBSPRNDSTPH-UHFFFAOYSA-N
MW3343.56 g/mol
LogP25.45
Rot. Bonds73

About [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate

[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 159697407) has the molecular formula C185H276F3N47O8 and a molecular weight of 3343.56 g/mol. Its IUPAC name is [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID159697407
Molecular FormulaC185H276F3N47O8
Molecular Weight3343.56 g/mol
Exact Mass3341.26
IUPAC Name[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCC(C)(C)C(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CC(C)CC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCOC(=O)N1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(N2CCN(C(=O)OCc3ccccc3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)C3CC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
InChIInChI=1S/C34H47N7O2.C33H44F3N9O.2C30H48N8O.C29H44N8O.C29H45N7O2/c1-27-23-32(40-19-21-41(22-20-40)34(42)43-26-30-9-4-2-5-10-30)39-33(38-27)37-25-29-15-13-28(14-16-29)24-35-17-8-18-36-31-11-6-3-7-12-31;34-33(35,36)26-6-4-9-28(20-26)41-32(46)45-18-16-44(17-19-45)30-21-29(37)42-31(43-30)40-23-25-12-10-24(11-13-25)22-38-14-5-15-39-27-7-2-1-3-8-27;1-30(2,3)28(39)38-18-16-37(17-19-38)27-20-26(31)35-29(36-27)34-22-24-12-10-23(11-13-24)21-32-14-7-15-33-25-8-5-4-6-9-25;1-23(2)19-29(39)38-17-15-37(16-18-38)28-20-27(31)35-30(36-28)34-22-25-11-9-24(10-12-25)21-32-13-6-14-33-26-7-4-3-5-8-26;30-26-19-27(36-15-17-37(18-16-36)28(38)24-11-12-24)35-29(34-26)33-21-23-9-7-22(8-10-23)20-31-13-4-14-32-25-5-2-1-3-6-25;1-3-38-29(37)36-18-16-35(17-19-36)27-20-23(2)33-28(34-27)32-22-25-12-10-24(11-13-25)21-30-14-7-15-31-26-8-5-4-6-9-26/h2,4-5,9-10,13-16,23,31,35-36H,3,6-8,11-12,17-22,24-26H2,1H3,(H,37,38,39);4,6,9-13,20-21,27,38-39H,1-3,5,7-8,14-19,22-23H2,(H,41,46)(H3,37,40,42,43);10-13,20,25,32-33H,4-9,14-19,21-22H2,1-3H3,(H3,31,34,35,36);9-12,20,23,26,32-33H,3-8,13-19,21-22H2,1-2H3,(H3,31,34,35,36);7-10,19,24-25,31-32H,1-6,11-18,20-21H2,(H3,30,33,34,35);10-13,20,26,30-31H,3-9,14-19,21-22H2,1-2H3,(H,32,33,34)
InChIKeyMXEOBSPRNDSTPH-UHFFFAOYSA-N
XLogP25.45
TPSA647.09 Ų
H-Bond Donors23
H-Bond Acceptors48
Rotatable Bonds73
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003343.56
LogP ≤ 525.45
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate (CID 159697407) is [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate is CC(C)(C)C(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CC(C)CC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCOC(=O)N1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(N2CCN(C(=O)OCc3ccccc3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)C3CC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.
What is the InChIKey of [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is MXEOBSPRNDSTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N7O2.C33H44F3N9O.2C30H48N8O.C29H44N8O.C29H45N7O2/c1-27-23-32(40-19-21-41(22-20-40)34(42)43-26-30-9-4-2-5-10-30)39-33(38-27)37-25-29-15-13-28(14-16-29)24-35-17-8-18-36-31-11-6-3-7-12-31;34-33(35,36)26-6-4-9-28(20-26)41-32(46)45-18-16-44(17-19-45)30-21-29(37)42-31(43-30)40-23-25-12-10-24(11-13-25)22-38-14-5-15-39-27-7-2-1-3-8-27;1-30(2,3)28(39)38-18-16-37(17-19-38)27-20-26(31)35-29(36-27)34-22-24-12-10-23(11-13-24)21-32-14-7-15-33-25-8-5-4-6-9-25;1-23(2)19-29(39)38-17-15-37(16-18-38)28-20-27(31)35-30(36-28)34-22-25-11-9-24(10-12-25)21-32-13-6-14-33-26-7-4-3-5-8-26;30-26-19-27(36-15-17-37(18-16-36)28(38)24-11-12-24)35-29(34-26)33-21-23-9-7-22(8-10-23)20-31-13-4-14-32-25-5-2-1-3-6-25;1-3-38-29(37)36-18-16-35(17-19-36)27-20-23(2)33-28(34-27)32-22-25-12-10-24(11-13-25)21-30-14-7-15-31-26-8-5-4-6-9-26/h2,4-5,9-10,13-16,23,31,35-36H,3,6-8,11-12,17-22,24-26H2,1H3,(H,37,38,39);4,6,9-13,20-21,27,38-39H,1-3,5,7-8,14-19,22-23H2,(H,41,46)(H3,37,40,42,43);10-13,20,25,32-33H,4-9,14-19,21-22H2,1-3H3,(H3,31,34,35,36);9-12,20,23,26,32-33H,3-8,13-19,21-22H2,1-2H3,(H3,31,34,35,36);7-10,19,24-25,31-32H,1-6,11-18,20-21H2,(H3,30,33,34,35);10-13,20,26,30-31H,3-9,14-19,21-22H2,1-2H3,(H,32,33,34).
What are the key properties of [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate?
[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 3343.56 g/mol, XLogP of 25.45, 73 rotatable bonds, 23 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;benzyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate;ethyl 4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 159697407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).