4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C144H183N25O12S5 — CID 158010314

IUPAC4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)Cc1cccc(Cc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c2CCC3)c1.CN1CCN(c2ccc(Nc3nc4c(c(Cc5cccc(CS(=O)(=O)C(C)(C)C)c5)n3)CCC4)cc2)CC1.CN1CCN(c2ccc(Nc3nc4c(c(Cc5cccc(CS(=O)(=O)C(C)(C)C)c5)n3)COC4)cc2)CC1.CN1CCN(c2ccc(Nc3nc4c(c(Cc5cccc(CS(=O)(=O)C6CC6)c5)n3)COC4)cc2)CC1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Cc1cccc(CS(=O)(=O)CC(C)C)c1
InChIInChI=1S/C30H39N5O2S.C29H37N5O3S.C29H37N5O2S.C28H33N5O3S.C28H37N5O2S/c1-30(2,3)38(36,37)21-23-8-5-7-22(19-23)20-28-26-9-6-10-27(26)32-29(33-28)31-24-11-13-25(14-12-24)35-17-15-34(4)16-18-35;1-29(2,3)38(35,36)20-22-7-5-6-21(16-22)17-26-25-18-37-19-27(25)32-28(31-26)30-23-8-10-24(11-9-23)34-14-12-33(4)13-15-34;1-21(2)37(35,36)20-23-7-4-6-22(18-23)19-28-26-8-5-9-27(26)31-29(32-28)30-24-10-12-25(13-11-24)34-16-14-33(3)15-17-34;1-32-11-13-33(14-12-32)23-7-5-22(6-8-23)29-28-30-26(25-17-36-18-27(25)31-28)16-20-3-2-4-21(15-20)19-37(34,35)24-9-10-24;1-21(2)19-36(34,35)20-24-7-5-6-23(16-24)17-27-22(3)18-29-28(31-27)30-25-8-10-26(11-9-25)33-14-12-32(4)13-15-33/h5,7-8,11-14,19H,6,9-10,15-18,20-21H2,1-4H3,(H,31,32,33);5-11,16H,12-15,17-20H2,1-4H3,(H,30,31,32);4,6-7,10-13,18,21H,5,8-9,14-17,19-20H2,1-3H3,(H,30,31,32);2-8,15,24H,9-14,16-19H2,1H3,(H,29,30,31);5-11,16,18,21H,12-15,17,19-20H2,1-4H3,(H,29,30,31)
InChIKeyFEUPAYDFIPNSDK-UHFFFAOYSA-N
MW2616.55 g/mol
LogP21.56
Rot. Bonds39

About 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 158010314) has the molecular formula C144H183N25O12S5 and a molecular weight of 2616.55 g/mol. Its IUPAC name is 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID158010314
Molecular FormulaC144H183N25O12S5
Molecular Weight2616.55 g/mol
Exact Mass2614.31
IUPAC Name4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)Cc1cccc(Cc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c2CCC3)c1.CN1CCN(c2ccc(Nc3nc4c(c(Cc5cccc(CS(=O)(=O)C(C)(C)C)c5)n3)CCC4)cc2)CC1.CN1CCN(c2ccc(Nc3nc4c(c(Cc5cccc(CS(=O)(=O)C(C)(C)C)c5)n3)COC4)cc2)CC1.CN1CCN(c2ccc(Nc3nc4c(c(Cc5cccc(CS(=O)(=O)C6CC6)c5)n3)COC4)cc2)CC1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Cc1cccc(CS(=O)(=O)CC(C)C)c1
InChIInChI=1S/C30H39N5O2S.C29H37N5O3S.C29H37N5O2S.C28H33N5O3S.C28H37N5O2S/c1-30(2,3)38(36,37)21-23-8-5-7-22(19-23)20-28-26-9-6-10-27(26)32-29(33-28)31-24-11-13-25(14-12-24)35-17-15-34(4)16-18-35;1-29(2,3)38(35,36)20-22-7-5-6-21(16-22)17-26-25-18-37-19-27(25)32-28(31-26)30-23-8-10-24(11-9-23)34-14-12-33(4)13-15-34;1-21(2)37(35,36)20-23-7-4-6-22(18-23)19-28-26-8-5-9-27(26)31-29(32-28)30-24-10-12-25(13-11-24)34-16-14-33(3)15-17-34;1-32-11-13-33(14-12-32)23-7-5-22(6-8-23)29-28-30-26(25-17-36-18-27(25)31-28)16-20-3-2-4-21(15-20)19-37(34,35)24-9-10-24;1-21(2)19-36(34,35)20-24-7-5-6-23(16-24)17-27-22(3)18-29-28(31-27)30-25-8-10-26(11-9-25)33-14-12-32(4)13-15-33/h5,7-8,11-14,19H,6,9-10,15-18,20-21H2,1-4H3,(H,31,32,33);5-11,16H,12-15,17-20H2,1-4H3,(H,30,31,32);4,6-7,10-13,18,21H,5,8-9,14-17,19-20H2,1-3H3,(H,30,31,32);2-8,15,24H,9-14,16-19H2,1H3,(H,29,30,31);5-11,16,18,21H,12-15,17,19-20H2,1-4H3,(H,29,30,31)
InChIKeyFEUPAYDFIPNSDK-UHFFFAOYSA-N
XLogP21.56
TPSA410.61 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002616.55
LogP ≤ 521.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine with MolForge

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Related Compounds

4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[(3-methoxyphenyl)methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 158355862
2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine
CID 158597724
CID 159181367
CID 159181367
4-[(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidin-2-amine;4-[(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)-4-chlorophenyl]methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-[[4-chloro-3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
CID 161478268

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 158010314) is 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is CC(C)S(=O)(=O)Cc1cccc(Cc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c2CCC3)c1.CN1CCN(c2ccc(Nc3nc4c(c(Cc5cccc(CS(=O)(=O)C(C)(C)C)c5)n3)CCC4)cc2)CC1.CN1CCN(c2ccc(Nc3nc4c(c(Cc5cccc(CS(=O)(=O)C(C)(C)C)c5)n3)COC4)cc2)CC1.CN1CCN(c2ccc(Nc3nc4c(c(Cc5cccc(CS(=O)(=O)C6CC6)c5)n3)COC4)cc2)CC1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Cc1cccc(CS(=O)(=O)CC(C)C)c1.
What is the InChIKey of 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is FEUPAYDFIPNSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O2S.C29H37N5O3S.C29H37N5O2S.C28H33N5O3S.C28H37N5O2S/c1-30(2,3)38(36,37)21-23-8-5-7-22(19-23)20-28-26-9-6-10-27(26)32-29(33-28)31-24-11-13-25(14-12-24)35-17-15-34(4)16-18-35;1-29(2,3)38(35,36)20-22-7-5-6-21(16-22)17-26-25-18-37-19-27(25)32-28(31-26)30-23-8-10-24(11-9-23)34-14-12-33(4)13-15-34;1-21(2)37(35,36)20-23-7-4-6-22(18-23)19-28-26-8-5-9-27(26)31-29(32-28)30-24-10-12-25(13-11-24)34-16-14-33(3)15-17-34;1-32-11-13-33(14-12-32)23-7-5-22(6-8-23)29-28-30-26(25-17-36-18-27(25)31-28)16-20-3-2-4-21(15-20)19-37(34,35)24-9-10-24;1-21(2)19-36(34,35)20-24-7-5-6-23(16-24)17-27-22(3)18-29-28(31-27)30-25-8-10-26(11-9-25)33-14-12-32(4)13-15-33/h5,7-8,11-14,19H,6,9-10,15-18,20-21H2,1-4H3,(H,31,32,33);5-11,16H,12-15,17-20H2,1-4H3,(H,30,31,32);4,6-7,10-13,18,21H,5,8-9,14-17,19-20H2,1-3H3,(H,30,31,32);2-8,15,24H,9-14,16-19H2,1H3,(H,29,30,31);5-11,16,18,21H,12-15,17,19-20H2,1-4H3,(H,29,30,31).
What are the key properties of 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 2616.55 g/mol, XLogP of 21.56, 39 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(2-methylpropylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 158010314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).