2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane

C172H219N27O16S2 — CID 157428308

About 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane

2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane (PubChem CID 157428308) has the molecular formula C172H219N27O16S2 and a molecular weight of 2984.95 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane.

Molecular Properties

• Compound Name: 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane
• PubChem CID: 157428308
• Molecular Formula: C172H219N27O16S2
• Molecular Weight: 2984.95 g/mol
• Exact Mass: 2982.66
• IUPAC Name: 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane
• SMILES: C.C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CN(C)CC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)CCCC(C)=O)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3n[nH]c(CCC(C)=O)c3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nc[nH]c3c2)ncn1.CCOC(=O)CCS(=O)(=O)Cc1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.O=C(Cc1cccc2c1C=CC2)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Cc1cccc2c1C=NC2)c1cc(N(CC2CC2)C2CCCCC2)ncn1
• InChI: InChI=1S/C28H37N3O5S.C25H34N4O2.C25H29N3O.C24H29N5O2.C24H28N4O.C24H31N3O4S.C20H23N5O.2CH4/c1-2-36-28(33)14-15-37(34,35)19-23-12-8-21(9-13-23)16-26(32)25-17-27(30-20-29-25)31(18-22-10-11-22)24-6-4-3-5-7-24;1-5-10-29(16-20-6-7-20)25-13-23(26-17-27-25)24(31)12-22-9-8-21(11-18(22)2)15-28(4)14-19(3)30;29-24(14-20-8-4-6-19-7-5-11-22(19)20)23-15-25(27-17-26-23)28(16-18-12-13-18)21-9-2-1-3-10-21;1-3-10-29(14-17-5-6-17)24-13-22(25-15-26-24)23(31)12-18-7-9-21-19(11-18)20(27-28-21)8-4-16(2)30;29-23(11-18-5-4-6-19-13-25-14-21(18)19)22-12-24(27-16-26-22)28(15-17-9-10-17)20-7-2-1-3-8-20;1-3-12-27(16-20-6-7-20)24-15-22(25-17-26-24)23(29)14-19-8-10-21(11-9-19)32(30,31)13-4-5-18(2)28;1-2-7-25(11-14-3-4-14)20-10-18(23-13-24-20)19(26)9-15-5-6-16-17(8-15)22-12-21-16;;/h8-9,12-13,17,20,22,24H,2-7,10-11,14-16,18-19H2,1H3;8-9,11,13,17,20H,5-7,10,12,14-16H2,1-4H3;4-6,8,11,15,17-18,21H,1-3,7,9-10,12-14,16H2;7,9,11,13,15,17H,3-6,8,10,12,14H2,1-2H3,(H,27,28);4-6,12,14,16-17,20H,1-3,7-11,13,15H2;8-11,15,17,20H,3-7,12-14,16H2,1-2H3;5-6,8,10,12-14H,2-4,7,9,11H2,1H3,(H,21,22);2*1H4
• InChIKey: BQFNEHZEQWDKFA-UHFFFAOYSA-N
• XLogP: 29.86
• TPSA: 541.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 41
• Rotatable Bonds: 71
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2984.95
LogP ≤ 5	29.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane?

The IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane (CID 157428308) is 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane.

What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane?

The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane is C.C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CN(C)CC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)CCCC(C)=O)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3n[nH]c(CCC(C)=O)c3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nc[nH]c3c2)ncn1.CCOC(=O)CCS(=O)(=O)Cc1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.O=C(Cc1cccc2c1C=CC2)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Cc1cccc2c1C=NC2)c1cc(N(CC2CC2)C2CCCCC2)ncn1.

What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane?

The InChIKey is BQFNEHZEQWDKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5S.C25H34N4O2.C25H29N3O.C24H29N5O2.C24H28N4O.C24H31N3O4S.C20H23N5O.2CH4/c1-2-36-28(33)14-15-37(34,35)19-23-12-8-21(9-13-23)16-26(32)25-17-27(30-20-29-25)31(18-22-10-11-22)24-6-4-3-5-7-24;1-5-10-29(16-20-6-7-20)25-13-23(26-17-27-25)24(31)12-22-9-8-21(11-18(22)2)15-28(4)14-19(3)30;29-24(14-20-8-4-6-19-7-5-11-22(19)20)23-15-25(27-17-26-23)28(16-18-12-13-18)21-9-2-1-3-10-21;1-3-10-29(14-17-5-6-17)24-13-22(25-15-26-24)23(31)12-18-7-9-21-19(11-18)20(27-28-21)8-4-16(2)30;29-23(11-18-5-4-6-19-13-25-14-21(18)19)22-12-24(27-16-26-22)28(15-17-9-10-17)20-7-2-1-3-8-20;1-3-12-27(16-20-6-7-20)24-15-22(25-17-26-24)23(29)14-19-8-10-21(11-9-19)32(30,31)13-4-5-18(2)28;1-2-7-25(11-14-3-4-14)20-10-18(23-13-24-20)19(26)9-15-5-6-16-17(8-15)22-12-21-16;;/h8-9,12-13,17,20,22,24H,2-7,10-11,14-16,18-19H2,1H3;8-9,11,13,17,20H,5-7,10,12,14-16H2,1-4H3;4-6,8,11,15,17-18,21H,1-3,7,9-10,12-14,16H2;7,9,11,13,15,17H,3-6,8,10,12,14H2,1-2H3,(H,27,28);4-6,12,14,16-17,20H,1-3,7-11,13,15H2;8-11,15,17,20H,3-7,12-14,16H2,1-2H3;5-6,8,10,12-14H,2-4,7,9,11H2,1H3,(H,21,22);2*1H4.

What are the key properties of 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane?

2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane has a molecular weight of 2984.95 g/mol, XLogP of 29.86, 71 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane is sourced from PubChem (CID 157428308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).