2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine

C232H275N35O — CID 159058837

IUPAC2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
SMILESCC(C)CCCc1nc(NCCC(C)C)cc(C2[C@@H](c3ccccc3)C(c3cc(NCCC(C)C)nc(NCCC(C)C)n3)[C@@H]2c2ccccc2)n1.CC(C)CCc1nc(NCC(C)C)cc(C2[C@@H](c3ccccc3)C(c3cc(NCC(C)C)nc(NCC(C)C)n3)[C@@H]2c2ccccc2)n1.CC(C)Cc1nc(NC(C)C)cc(C2[C@@H](c3ccccc3)C(c3cc(NC(C)C)nc(NC(C)C)n3)[C@@H]2c2ccccc2)n1.COc1ccc(CNc2nc(NCc3ccc(C)cc3)cc(C3[C@H](c4ccccc4)C(c4cc(NCc5ccc(C)cc5)nc(CCc5ccc(C)cc5)n4)[C@H]3c3ccccc3)n2)cc1.c1ccc(CNc2cc(C3[C@@H](c4ccccc4)C(c4cc(NCc5ccccc5)nc(NCc5ccccc5)n4)[C@@H]3c3ccccc3)nc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C57H57N7O.C52H47N7.C45H65N7.C41H57N7.C37H49N7/c1-38-15-21-41(22-16-38)29-32-50-61-48(33-51(63-50)58-35-42-23-17-39(2)18-24-42)55-53(45-11-7-5-8-12-45)56(54(55)46-13-9-6-10-14-46)49-34-52(59-36-43-25-19-40(3)20-26-43)64-57(62-49)60-37-44-27-30-47(65-4)31-28-44;1-7-19-37(20-8-1)31-47-56-43(32-45(58-47)53-34-38-21-9-2-10-22-38)50-48(41-27-15-5-16-28-41)51(49(50)42-29-17-6-18-30-42)44-33-46(54-35-39-23-11-3-12-24-39)59-52(57-44)55-36-40-25-13-4-14-26-40;1-30(2)16-15-21-38-49-36(28-39(51-38)46-25-22-31(3)4)43-41(34-17-11-9-12-18-34)44(42(43)35-19-13-10-14-20-35)37-29-40(47-26-23-32(5)6)52-45(50-37)48-27-24-33(7)8;1-26(2)19-20-34-45-32(21-35(47-34)42-23-27(3)4)39-37(30-15-11-9-12-16-30)40(38(39)31-17-13-10-14-18-31)33-22-36(43-24-28(5)6)48-41(46-33)44-25-29(7)8;1-22(2)19-30-41-28(20-31(43-30)38-23(3)4)35-33(26-15-11-9-12-16-26)36(34(35)27-17-13-10-14-18-27)29-21-32(39-24(5)6)44-37(42-29)40-25(7)8/h5-28,30-31,33-34,53-56H,29,32,35-37H2,1-4H3,(H,58,61,63)(H2,59,60,62,64);1-30,32-33,48-51H,31,34-36H2,(H,53,56,58)(H2,54,55,57,59);9-14,17-20,28-33,41-44H,15-16,21-27H2,1-8H3,(H,46,49,51)(H2,47,48,50,52);9-18,21-22,26-29,37-40H,19-20,23-25H2,1-8H3,(H,42,45,47)(H2,43,44,46,48);9-18,20-25,33-36H,19H2,1-8H3,(H,38,41,43)(H2,39,40,42,44)/t53-,54-,55?,56?;48-,49-,50?,51?;41-,42-,43?,44?;37-,38-,39?,40?;33-,34-,35?,36?/m11111/s1
InChIKeyJYEXUJYVCQFYNO-RKFSMKKZSA-N
MW3570.00 g/mol
LogP52.36
Rot. Bonds80

About 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine

2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine (PubChem CID 159058837) has the molecular formula C232H275N35O and a molecular weight of 3570.00 g/mol. Its IUPAC name is 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
PubChem CID159058837
Molecular FormulaC232H275N35O
Molecular Weight3570.00 g/mol
Exact Mass3567.25
IUPAC Name2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
SMILESCC(C)CCCc1nc(NCCC(C)C)cc(C2[C@@H](c3ccccc3)C(c3cc(NCCC(C)C)nc(NCCC(C)C)n3)[C@@H]2c2ccccc2)n1.CC(C)CCc1nc(NCC(C)C)cc(C2[C@@H](c3ccccc3)C(c3cc(NCC(C)C)nc(NCC(C)C)n3)[C@@H]2c2ccccc2)n1.CC(C)Cc1nc(NC(C)C)cc(C2[C@@H](c3ccccc3)C(c3cc(NC(C)C)nc(NC(C)C)n3)[C@@H]2c2ccccc2)n1.COc1ccc(CNc2nc(NCc3ccc(C)cc3)cc(C3[C@H](c4ccccc4)C(c4cc(NCc5ccc(C)cc5)nc(CCc5ccc(C)cc5)n4)[C@H]3c3ccccc3)n2)cc1.c1ccc(CNc2cc(C3[C@@H](c4ccccc4)C(c4cc(NCc5ccccc5)nc(NCc5ccccc5)n4)[C@@H]3c3ccccc3)nc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C57H57N7O.C52H47N7.C45H65N7.C41H57N7.C37H49N7/c1-38-15-21-41(22-16-38)29-32-50-61-48(33-51(63-50)58-35-42-23-17-39(2)18-24-42)55-53(45-11-7-5-8-12-45)56(54(55)46-13-9-6-10-14-46)49-34-52(59-36-43-25-19-40(3)20-26-43)64-57(62-49)60-37-44-27-30-47(65-4)31-28-44;1-7-19-37(20-8-1)31-47-56-43(32-45(58-47)53-34-38-21-9-2-10-22-38)50-48(41-27-15-5-16-28-41)51(49(50)42-29-17-6-18-30-42)44-33-46(54-35-39-23-11-3-12-24-39)59-52(57-44)55-36-40-25-13-4-14-26-40;1-30(2)16-15-21-38-49-36(28-39(51-38)46-25-22-31(3)4)43-41(34-17-11-9-12-18-34)44(42(43)35-19-13-10-14-20-35)37-29-40(47-26-23-32(5)6)52-45(50-37)48-27-24-33(7)8;1-26(2)19-20-34-45-32(21-35(47-34)42-23-27(3)4)39-37(30-15-11-9-12-16-30)40(38(39)31-17-13-10-14-18-31)33-22-36(43-24-28(5)6)48-41(46-33)44-25-29(7)8;1-22(2)19-30-41-28(20-31(43-30)38-23(3)4)35-33(26-15-11-9-12-16-26)36(34(35)27-17-13-10-14-18-27)29-21-32(39-24(5)6)44-37(42-29)40-25(7)8/h5-28,30-31,33-34,53-56H,29,32,35-37H2,1-4H3,(H,58,61,63)(H2,59,60,62,64);1-30,32-33,48-51H,31,34-36H2,(H,53,56,58)(H2,54,55,57,59);9-14,17-20,28-33,41-44H,15-16,21-27H2,1-8H3,(H,46,49,51)(H2,47,48,50,52);9-18,21-22,26-29,37-40H,19-20,23-25H2,1-8H3,(H,42,45,47)(H2,43,44,46,48);9-18,20-25,33-36H,19H2,1-8H3,(H,38,41,43)(H2,39,40,42,44)/t53-,54-,55?,56?;48-,49-,50?,51?;41-,42-,43?,44?;37-,38-,39?,40?;33-,34-,35?,36?/m11111/s1
InChIKeyJYEXUJYVCQFYNO-RKFSMKKZSA-N
XLogP52.36
TPSA447.48 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds80
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003570.00
LogP ≤ 552.36
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Analyze 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-(3-{[1,4'-Bipiperidin]-1'-YL}propyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963220
2-(3,4-Difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
CID 158475746
2-Methoxy-5-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyrimidine;2-(4-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;4-(4-propan-2-ylphenyl)pyrimidine;5-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-yl-4-[4-(trifluoromethyl)phenyl]benzene
CID 159185776
4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 160594833
2-N-[1-[[4-[[4-amino-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-yl]methyl]-2,6-difluorophenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671049
2-(4-Methoxyphenyl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-YL}methyl)quinazolin-4-amine
CID 20963230
4-N-[6-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139220874
1-[(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 45360428
1-[5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 75111251
1-[(2R,4S,5S)-5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 163125534
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963217
N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117083465

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine (CID 159058837) is 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine is CC(C)CCCc1nc(NCCC(C)C)cc(C2[C@@H](c3ccccc3)C(c3cc(NCCC(C)C)nc(NCCC(C)C)n3)[C@@H]2c2ccccc2)n1.CC(C)CCc1nc(NCC(C)C)cc(C2[C@@H](c3ccccc3)C(c3cc(NCC(C)C)nc(NCC(C)C)n3)[C@@H]2c2ccccc2)n1.CC(C)Cc1nc(NC(C)C)cc(C2[C@@H](c3ccccc3)C(c3cc(NC(C)C)nc(NC(C)C)n3)[C@@H]2c2ccccc2)n1.COc1ccc(CNc2nc(NCc3ccc(C)cc3)cc(C3[C@H](c4ccccc4)C(c4cc(NCc5ccc(C)cc5)nc(CCc5ccc(C)cc5)n4)[C@H]3c3ccccc3)n2)cc1.c1ccc(CNc2cc(C3[C@@H](c4ccccc4)C(c4cc(NCc5ccccc5)nc(NCc5ccccc5)n4)[C@@H]3c3ccccc3)nc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is JYEXUJYVCQFYNO-RKFSMKKZSA-N. The full InChI is InChI=1S/C57H57N7O.C52H47N7.C45H65N7.C41H57N7.C37H49N7/c1-38-15-21-41(22-16-38)29-32-50-61-48(33-51(63-50)58-35-42-23-17-39(2)18-24-42)55-53(45-11-7-5-8-12-45)56(54(55)46-13-9-6-10-14-46)49-34-52(59-36-43-25-19-40(3)20-26-43)64-57(62-49)60-37-44-27-30-47(65-4)31-28-44;1-7-19-37(20-8-1)31-47-56-43(32-45(58-47)53-34-38-21-9-2-10-22-38)50-48(41-27-15-5-16-28-41)51(49(50)42-29-17-6-18-30-42)44-33-46(54-35-39-23-11-3-12-24-39)59-52(57-44)55-36-40-25-13-4-14-26-40;1-30(2)16-15-21-38-49-36(28-39(51-38)46-25-22-31(3)4)43-41(34-17-11-9-12-18-34)44(42(43)35-19-13-10-14-20-35)37-29-40(47-26-23-32(5)6)52-45(50-37)48-27-24-33(7)8;1-26(2)19-20-34-45-32(21-35(47-34)42-23-27(3)4)39-37(30-15-11-9-12-16-30)40(38(39)31-17-13-10-14-18-31)33-22-36(43-24-28(5)6)48-41(46-33)44-25-29(7)8;1-22(2)19-30-41-28(20-31(43-30)38-23(3)4)35-33(26-15-11-9-12-16-26)36(34(35)27-17-13-10-14-18-27)29-21-32(39-24(5)6)44-37(42-29)40-25(7)8/h5-28,30-31,33-34,53-56H,29,32,35-37H2,1-4H3,(H,58,61,63)(H2,59,60,62,64);1-30,32-33,48-51H,31,34-36H2,(H,53,56,58)(H2,54,55,57,59);9-14,17-20,28-33,41-44H,15-16,21-27H2,1-8H3,(H,46,49,51)(H2,47,48,50,52);9-18,21-22,26-29,37-40H,19-20,23-25H2,1-8H3,(H,42,45,47)(H2,43,44,46,48);9-18,20-25,33-36H,19H2,1-8H3,(H,38,41,43)(H2,39,40,42,44)/t53-,54-,55?,56?;48-,49-,50?,51?;41-,42-,43?,44?;37-,38-,39?,40?;33-,34-,35?,36?/m11111/s1.
What are the key properties of 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine?
2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 3570.00 g/mol, XLogP of 52.36, 80 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-methylbutyl)-6-[(2R,4R)-3-[6-(3-methylbutylamino)-2-(4-methylpentyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dibenzyl-6-[(2R,4R)-3-[2-benzyl-6-(benzylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]pyrimidine-2,4-diamine;2-N-[(4-methoxyphenyl)methyl]-6-[(2R,4R)-3-[2-[2-(4-methylphenyl)ethyl]-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(3-methylbutyl)-6-(2-methylpropylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-(2-methylpropyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159058837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).