4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine

C177H312N50O8 — CID 159665689

IUPAC4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCCCNC(=O)N1CCN(c2cc(N)nc(NCC3CCC(CNCCCNC4CCCCC4)CC3)n2)CC1.Nc1cc(N2CCN(C(=O)CC(=O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(C(=O)NCC(=O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CC3CCCCC3)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CCO)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(Cc3ccccc3)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1
InChIInChI=1S/C32H58N8.C32H52N8.C30H55N9O.C28H49N9O3.C28H48N8O3.C27H50N8O/c2*33-30-22-31(40-20-18-39(19-21-40)25-28-8-3-1-4-9-28)38-32(37-30)36-24-27-14-12-26(13-15-27)23-34-16-7-17-35-29-10-5-2-6-11-29;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;29-24-17-25(36-13-15-37(16-14-36)28(40)33-20-26(38)39)35-27(34-24)32-19-22-9-7-21(8-10-22)18-30-11-4-12-31-23-5-2-1-3-6-23;29-24-17-25(35-13-15-36(16-14-35)26(37)18-27(38)39)34-28(33-24)32-20-22-9-7-21(8-10-22)19-30-11-4-12-31-23-5-2-1-3-6-23;28-25-19-26(35-15-13-34(14-16-35)17-18-36)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/h22,26-29,34-35H,1-21,23-25H2,(H3,33,36,37,38);1,3-4,8-9,22,26-27,29,34-35H,2,5-7,10-21,23-25H2,(H3,33,36,37,38);21,24-26,32-33H,2-20,22-23H2,1H3,(H,34,40)(H3,31,35,36,37);17,21-23,30-31H,1-16,18-20H2,(H,33,40)(H,38,39)(H3,29,32,34,35);17,21-23,30-31H,1-16,18-20H2,(H,38,39)(H3,29,32,33,34);19,22-24,29-30,36H,1-18,20-21H2,(H3,28,31,32,33)
InChIKeyMTJGVOHJDXTXLR-UHFFFAOYSA-N
MW3268.78 g/mol
LogP19.88
Rot. Bonds79

About 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine

4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 159665689) has the molecular formula C177H312N50O8 and a molecular weight of 3268.78 g/mol. Its IUPAC name is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID159665689
Molecular FormulaC177H312N50O8
Molecular Weight3268.78 g/mol
Exact Mass3266.55
IUPAC Name4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCCCNC(=O)N1CCN(c2cc(N)nc(NCC3CCC(CNCCCNC4CCCCC4)CC3)n2)CC1.Nc1cc(N2CCN(C(=O)CC(=O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(C(=O)NCC(=O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CC3CCCCC3)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CCO)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(Cc3ccccc3)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1
InChIInChI=1S/C32H58N8.C32H52N8.C30H55N9O.C28H49N9O3.C28H48N8O3.C27H50N8O/c2*33-30-22-31(40-20-18-39(19-21-40)25-28-8-3-1-4-9-28)38-32(37-30)36-24-27-14-12-26(13-15-27)23-34-16-7-17-35-29-10-5-2-6-11-29;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;29-24-17-25(36-13-15-37(16-14-36)28(40)33-20-26(38)39)35-27(34-24)32-19-22-9-7-21(8-10-22)18-30-11-4-12-31-23-5-2-1-3-6-23;29-24-17-25(35-13-15-36(16-14-35)26(37)18-27(38)39)34-28(33-24)32-20-22-9-7-21(8-10-22)19-30-11-4-12-31-23-5-2-1-3-6-23;28-25-19-26(35-15-13-34(14-16-35)17-18-36)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/h22,26-29,34-35H,1-21,23-25H2,(H3,33,36,37,38);1,3-4,8-9,22,26-27,29,34-35H,2,5-7,10-21,23-25H2,(H3,33,36,37,38);21,24-26,32-33H,2-20,22-23H2,1H3,(H,34,40)(H3,31,35,36,37);17,21-23,30-31H,1-16,18-20H2,(H,33,40)(H,38,39)(H3,29,32,34,35);17,21-23,30-31H,1-16,18-20H2,(H,38,39)(H3,29,32,33,34);19,22-24,29-30,36H,1-18,20-21H2,(H3,28,31,32,33)
InChIKeyMTJGVOHJDXTXLR-UHFFFAOYSA-N
XLogP19.88
TPSA736.32 Ų
H-Bond Donors29
H-Bond Acceptors51
Rotatable Bonds79
Heavy Atoms235
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003268.78
LogP ≤ 519.88
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 159665689) is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine is CCCCNC(=O)N1CCN(c2cc(N)nc(NCC3CCC(CNCCCNC4CCCCC4)CC3)n2)CC1.Nc1cc(N2CCN(C(=O)CC(=O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(C(=O)NCC(=O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CC3CCCCC3)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CCO)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(Cc3ccccc3)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.
What is the InChIKey of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is MTJGVOHJDXTXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N8.C32H52N8.C30H55N9O.C28H49N9O3.C28H48N8O3.C27H50N8O/c2*33-30-22-31(40-20-18-39(19-21-40)25-28-8-3-1-4-9-28)38-32(37-30)36-24-27-14-12-26(13-15-27)23-34-16-7-17-35-29-10-5-2-6-11-29;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;29-24-17-25(36-13-15-37(16-14-36)28(40)33-20-26(38)39)35-27(34-24)32-19-22-9-7-21(8-10-22)18-30-11-4-12-31-23-5-2-1-3-6-23;29-24-17-25(35-13-15-36(16-14-35)26(37)18-27(38)39)34-28(33-24)32-20-22-9-7-21(8-10-22)19-30-11-4-12-31-23-5-2-1-3-6-23;28-25-19-26(35-15-13-34(14-16-35)17-18-36)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/h22,26-29,34-35H,1-21,23-25H2,(H3,33,36,37,38);1,3-4,8-9,22,26-27,29,34-35H,2,5-7,10-21,23-25H2,(H3,33,36,37,38);21,24-26,32-33H,2-20,22-23H2,1H3,(H,34,40)(H3,31,35,36,37);17,21-23,30-31H,1-16,18-20H2,(H,33,40)(H,38,39)(H3,29,32,34,35);17,21-23,30-31H,1-16,18-20H2,(H,38,39)(H3,29,32,33,34);19,22-24,29-30,36H,1-18,20-21H2,(H3,28,31,32,33).
What are the key properties of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 3268.78 g/mol, XLogP of 19.88, 79 rotatable bonds, 29 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide;2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]amino]acetic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;6-(4-benzylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159665689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).