4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide

C151H246N46O2S5 — CID 159329118

IUPAC4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=S)NCCCN3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
InChIInChI=1S/C33H54N10OS.C30H49N9OS.2C30H49N9S.C28H45N9S/c34-30-24-31(42-16-18-43(19-17-42)33(45)37-14-5-15-41-20-22-44-23-21-41)40-32(39-30)38-26-28-10-8-27(9-11-28)25-35-12-4-13-36-29-6-2-1-3-7-29;1-40-20-6-15-34-30(41)39-18-16-38(17-19-39)28-21-27(31)36-29(37-28)35-23-25-11-9-24(10-12-25)22-32-13-5-14-33-26-7-3-2-4-8-26;1-23(2)20-35-30(40)39-17-15-38(16-18-39)28-19-27(31)36-29(37-28)34-22-25-11-9-24(10-12-25)21-32-13-6-14-33-26-7-4-3-5-8-26;1-2-3-15-34-30(40)39-19-17-38(18-20-39)28-21-27(31)36-29(37-28)35-23-25-12-10-24(11-13-25)22-32-14-7-16-33-26-8-5-4-6-9-26;1-2-31-28(38)37-17-15-36(16-18-37)26-19-25(29)34-27(35-26)33-21-23-11-9-22(10-12-23)20-30-13-6-14-32-24-7-4-3-5-8-24/h8-11,24,29,35-36H,1-7,12-23,25-26H2,(H,37,45)(H3,34,38,39,40);9-12,21,26,32-33H,2-8,13-20,22-23H2,1H3,(H,34,41)(H3,31,35,36,37);9-12,19,23,26,32-33H,3-8,13-18,20-22H2,1-2H3,(H,35,40)(H3,31,34,36,37);10-13,21,26,32-33H,2-9,14-20,22-23H2,1H3,(H,34,40)(H3,31,35,36,37);9-12,19,24,30,32H,2-8,13-18,20-21H2,1H3,(H,31,38)(H3,29,33,34,35)
InChIKeyLETBRQDZEHUNAN-UHFFFAOYSA-N
MW2898.28 g/mol
LogP16.58
Rot. Bonds69

About 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide

4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide (PubChem CID 159329118) has the molecular formula C151H246N46O2S5 and a molecular weight of 2898.28 g/mol. Its IUPAC name is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide
PubChem CID159329118
Molecular FormulaC151H246N46O2S5
Molecular Weight2898.28 g/mol
Exact Mass2895.92
IUPAC Name4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=S)NCCCN3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
InChIInChI=1S/C33H54N10OS.C30H49N9OS.2C30H49N9S.C28H45N9S/c34-30-24-31(42-16-18-43(19-17-42)33(45)37-14-5-15-41-20-22-44-23-21-41)40-32(39-30)38-26-28-10-8-27(9-11-28)25-35-12-4-13-36-29-6-2-1-3-7-29;1-40-20-6-15-34-30(41)39-18-16-38(17-19-39)28-21-27(31)36-29(37-28)35-23-25-11-9-24(10-12-25)22-32-13-5-14-33-26-7-3-2-4-8-26;1-23(2)20-35-30(40)39-17-15-38(16-18-39)28-19-27(31)36-29(37-28)34-22-25-11-9-24(10-12-25)21-32-13-6-14-33-26-7-4-3-5-8-26;1-2-3-15-34-30(40)39-19-17-38(18-20-39)28-21-27(31)36-29(37-28)35-23-25-12-10-24(11-13-25)22-32-14-7-16-33-26-8-5-4-6-9-26;1-2-31-28(38)37-17-15-36(16-18-37)26-19-25(29)34-27(35-26)33-21-23-11-9-22(10-12-23)20-30-13-6-14-32-24-7-4-3-5-8-24/h8-11,24,29,35-36H,1-7,12-23,25-26H2,(H,37,45)(H3,34,38,39,40);9-12,21,26,32-33H,2-8,13-20,22-23H2,1H3,(H,34,41)(H3,31,35,36,37);9-12,19,23,26,32-33H,3-8,13-18,20-22H2,1-2H3,(H,35,40)(H3,31,34,36,37);10-13,21,26,32-33H,2-9,14-20,22-23H2,1H3,(H,34,40)(H3,31,35,36,37);9-12,19,24,30,32H,2-8,13-18,20-21H2,1H3,(H,31,38)(H3,29,33,34,35)
InChIKeyLETBRQDZEHUNAN-UHFFFAOYSA-N
XLogP16.58
TPSA553.70 Ų
H-Bond Donors25
H-Bond Acceptors43
Rotatable Bonds69
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002898.28
LogP ≤ 516.58
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide with MolForge

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Related Compounds

2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 15602756
2-[4-[2-[[4-[[3-(Cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 15603066
2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 15603265
N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 15603486
2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 42629937
6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[[4-[[3-(oxan-4-ylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine
CID 57731234
2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 57839895
6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[[4-[[(oxan-4-ylamino)methylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine
CID 57839900
6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]pyrimidine-2,4-diamine
CID 57839906
6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]pyrimidine-2,4-diamine
CID 57839908
4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 57839922
2-N-[[4-[(4-cyclohexylpiperazin-1-yl)methyl]phenyl]methyl]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 57839962

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide?
The IUPAC name of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide (CID 159329118) is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide is CC(C)CNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=S)NCCCN3CCOCC3)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]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide?
The InChIKey is LETBRQDZEHUNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54N10OS.C30H49N9OS.2C30H49N9S.C28H45N9S/c34-30-24-31(42-16-18-43(19-17-42)33(45)37-14-5-15-41-20-22-44-23-21-41)40-32(39-30)38-26-28-10-8-27(9-11-28)25-35-12-4-13-36-29-6-2-1-3-7-29;1-40-20-6-15-34-30(41)39-18-16-38(17-19-39)28-21-27(31)36-29(37-28)35-23-25-11-9-24(10-12-25)22-32-13-5-14-33-26-7-3-2-4-8-26;1-23(2)20-35-30(40)39-17-15-38(16-18-39)28-19-27(31)36-29(37-28)34-22-25-11-9-24(10-12-25)21-32-13-6-14-33-26-7-4-3-5-8-26;1-2-3-15-34-30(40)39-19-17-38(18-20-39)28-21-27(31)36-29(37-28)35-23-25-12-10-24(11-13-25)22-32-14-7-16-33-26-8-5-4-6-9-26;1-2-31-28(38)37-17-15-36(16-18-37)26-19-25(29)34-27(35-26)33-21-23-11-9-22(10-12-23)20-30-13-6-14-32-24-7-4-3-5-8-24/h8-11,24,29,35-36H,1-7,12-23,25-26H2,(H,37,45)(H3,34,38,39,40);9-12,21,26,32-33H,2-8,13-20,22-23H2,1H3,(H,34,41)(H3,31,35,36,37);9-12,19,23,26,32-33H,3-8,13-18,20-22H2,1-2H3,(H,35,40)(H3,31,34,36,37);10-13,21,26,32-33H,2-9,14-20,22-23H2,1H3,(H,34,40)(H3,31,35,36,37);9-12,19,24,30,32H,2-8,13-18,20-21H2,1H3,(H,31,38)(H3,29,33,34,35).
What are the key properties of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide?
4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide has a molecular weight of 2898.28 g/mol, XLogP of 16.58, 69 rotatable bonds, 25 hydrogen bond donors, and 43 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]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide is sourced from PubChem (CID 159329118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).