2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate

C98H101N27O17 — CID 160997487

About 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate

2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate (PubChem CID 160997487) has the molecular formula C98H101N27O17 and a molecular weight of 1929.06 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate
• PubChem CID: 160997487
• Molecular Formula: C98H101N27O17
• Molecular Weight: 1929.06 g/mol
• Exact Mass: 1927.79
• IUPAC Name: 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate
• SMILES: CCOC(=O)CC(=O)CN.CCOC(=O)CC(=O)CNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.CCOC(=O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.O=C(O)c1cnc(NC2Cc3ccccc3C2)nc1
• InChI: InChI=1S/C22H21N9O2.C20H22N4O4.C19H19N5O3.C17H15N5O3.C14H13N3O2.C6H11NO3/c32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16;1-2-28-18(26)9-17(25)12-21-19(27)15-10-22-20(23-11-15)24-16-7-13-5-3-4-6-14(13)8-16;1-2-26-17(25)9-16-23-24-18(27-16)14-10-20-19(21-11-14)22-15-7-12-5-3-4-6-13(12)8-15;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;18-13(19)11-7-15-14(16-8-11)17-12-5-9-3-1-2-4-10(9)6-12;1-2-10-6(9)3-5(8)4-7/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30);3-6,10-11,16H,2,7-9,12H2,1H3,(H,21,27)(H,22,23,24);3-6,10-11,15H,2,7-9H2,1H3,(H,20,21,22);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);1-4,7-8,12H,5-6H2,(H,18,19)(H,15,16,17);2-4,7H2,1H3
• InChIKey: TVLBHMOJZZEWBH-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 610.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1929.06
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate?

The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate (CID 160997487) is 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate.

What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate?

The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate is CCOC(=O)CC(=O)CN.CCOC(=O)CC(=O)CNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.CCOC(=O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.O=C(O)c1cnc(NC2Cc3ccccc3C2)nc1.

What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate?

The InChIKey is TVLBHMOJZZEWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2.C20H22N4O4.C19H19N5O3.C17H15N5O3.C14H13N3O2.C6H11NO3/c32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16;1-2-28-18(26)9-17(25)12-21-19(27)15-10-22-20(23-11-15)24-16-7-13-5-3-4-6-14(13)8-16;1-2-26-17(25)9-16-23-24-18(27-16)14-10-20-19(21-11-14)22-15-7-12-5-3-4-6-13(12)8-15;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;18-13(19)11-7-15-14(16-8-11)17-12-5-9-3-1-2-4-10(9)6-12;1-2-10-6(9)3-5(8)4-7/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30);3-6,10-11,16H,2,7-9,12H2,1H3,(H,21,27)(H,22,23,24);3-6,10-11,15H,2,7-9H2,1H3,(H,20,21,22);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);1-4,7-8,12H,5-6H2,(H,18,19)(H,15,16,17);2-4,7H2,1H3.

What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate?

2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate has a molecular weight of 1929.06 g/mol, XLogP of 7.83, 31 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 4-amino-3-oxobutanoate;ethyl 4-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]-3-oxobutanoate;ethyl 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetate is sourced from PubChem (CID 160997487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).