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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride

C103H110ClN31O17 — CID 159218078

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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride

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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride (PubChem CID 159218078) has the molecular formula C103H110ClN31O17 and a molecular weight of 2089.67 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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride.

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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride
• PubChem CID: 159218078
• Molecular Formula: C103H110ClN31O17
• Molecular Weight: 2089.67 g/mol
• Exact Mass: 2087.84
• 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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride
• SMILES: C1Cc2n[nH]nc2CN1.CCOC(=O)CC(=O)CN.CCOC(=O)CC(=O)CNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.CCOC(=O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.Cl.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.C5H8N4.ClH/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;1-2-6-3-5-4(1)7-9-8-5;/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;6H,1-3H2,(H,7,8,9);1H
• InChIKey: KCNSGXWNLOIOJU-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 664.05 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2089.67
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?

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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride (CID 159218078) 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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride.

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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?

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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride is C1Cc2n[nH]nc2CN1.CCOC(=O)CC(=O)CN.CCOC(=O)CC(=O)CNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.CCOC(=O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.Cl.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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?

The InChIKey is KCNSGXWNLOIOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2.C20H22N4O4.C19H19N5O3.C17H15N5O3.C14H13N3O2.C6H11NO3.C5H8N4.ClH/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;1-2-6-3-5-4(1)7-9-8-5;/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;6H,1-3H2,(H,7,8,9);1H.

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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?

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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride has a molecular weight of 2089.67 g/mol, XLogP of 7.70, 31 rotatable bonds, 12 hydrogen bond donors, and 42 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;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 159218078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).