3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride

C138H195Cl2N25O31 — CID 157462696

About 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride

3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride (PubChem CID 157462696) has the molecular formula C138H195Cl2N25O31 and a molecular weight of 2771.13 g/mol. Its IUPAC name is 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride.

Molecular Properties

• Compound Name: 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride
• PubChem CID: 157462696
• Molecular Formula: C138H195Cl2N25O31
• Molecular Weight: 2771.13 g/mol
• Exact Mass: 2768.38
• IUPAC Name: 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCOC(CO)(CO)C1.CC(C)(C)OC(=O)N1CCOC(COCc2ccccc2)(COCc2ccccc2)C1.CCCOCC.CCCOCC.CCCOCC.CCCOCC.CNC(=O)c1cccc(-c2ccc3c(N)nc(Cl)nc3n2)c1.CNC(=O)c1cccc(-c2ccc3c(N)nc(N4CCOC(CO)(CO)C4)nc3n2)c1.Cl.NC(=O)c1cccc(-c2ccc3c(N)nc(N4CCOC(CO)(CO)C4)nc3n2)c1.Nc1nc(N2CCOC(CO)(CO)C2)nc2nc(-c3cccc(C(=O)O)c3)ccc12.OCC1(CO)CNCCO1
• InChI: InChI=1S/C25H33NO5.C21H24N6O4.C20H22N6O4.C20H21N5O5.C15H12ClN5O.C11H21NO5.C6H13NO3.4C5H12O.ClH/c1-24(2,3)31-23(27)26-14-15-30-25(18-26,19-28-16-21-10-6-4-7-11-21)20-29-17-22-12-8-5-9-13-22;1-23-19(30)14-4-2-3-13(9-14)16-6-5-15-17(22)25-20(26-18(15)24-16)27-7-8-31-21(10-27,11-28)12-29;21-16-14-4-5-15(12-2-1-3-13(8-12)17(22)29)23-18(14)25-19(24-16)26-6-7-30-20(9-26,10-27)11-28;21-16-14-4-5-15(12-2-1-3-13(8-12)18(28)29)22-17(14)24-19(23-16)25-6-7-30-20(9-25,10-26)11-27;1-18-14(22)9-4-2-3-8(7-9)11-6-5-10-12(17)20-15(16)21-13(10)19-11;1-10(2,3)17-9(15)12-4-5-16-11(6-12,7-13)8-14;8-4-6(5-9)3-7-1-2-10-6;4*1-3-5-6-4-2;/h4-13H,14-20H2,1-3H3;2-6,9,28-29H,7-8,10-12H2,1H3,(H,23,30)(H2,22,24,25,26);1-5,8,27-28H,6-7,9-11H2,(H2,22,29)(H2,21,23,24,25);1-5,8,26-27H,6-7,9-11H2,(H,28,29)(H2,21,22,23,24);2-7H,1H3,(H,18,22)(H2,17,19,20,21);13-14H,4-8H2,1-3H3;7-9H,1-5H2;4*3-5H2,1-2H3;1H
• InChIKey: RZIKMMBXJYFSOD-UHFFFAOYSA-N
• XLogP: 11.83
• TPSA: 791.24 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 50
• Rotatable Bonds: 41
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2771.13
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride?

The IUPAC name of 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride (CID 157462696) is 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride.

What is the SMILES notation for 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride?

The canonical SMILES for 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride is CC(C)(C)OC(=O)N1CCOC(CO)(CO)C1.CC(C)(C)OC(=O)N1CCOC(COCc2ccccc2)(COCc2ccccc2)C1.CCCOCC.CCCOCC.CCCOCC.CCCOCC.CNC(=O)c1cccc(-c2ccc3c(N)nc(Cl)nc3n2)c1.CNC(=O)c1cccc(-c2ccc3c(N)nc(N4CCOC(CO)(CO)C4)nc3n2)c1.Cl.NC(=O)c1cccc(-c2ccc3c(N)nc(N4CCOC(CO)(CO)C4)nc3n2)c1.Nc1nc(N2CCOC(CO)(CO)C2)nc2nc(-c3cccc(C(=O)O)c3)ccc12.OCC1(CO)CNCCO1.

What is the InChIKey of 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride?

The InChIKey is RZIKMMBXJYFSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO5.C21H24N6O4.C20H22N6O4.C20H21N5O5.C15H12ClN5O.C11H21NO5.C6H13NO3.4C5H12O.ClH/c1-24(2,3)31-23(27)26-14-15-30-25(18-26,19-28-16-21-10-6-4-7-11-21)20-29-17-22-12-8-5-9-13-22;1-23-19(30)14-4-2-3-13(9-14)16-6-5-15-17(22)25-20(26-18(15)24-16)27-7-8-31-21(10-27,11-28)12-29;21-16-14-4-5-15(12-2-1-3-13(8-12)17(22)29)23-18(14)25-19(24-16)26-6-7-30-20(9-26,10-27)11-28;21-16-14-4-5-15(12-2-1-3-13(8-12)18(28)29)22-17(14)24-19(23-16)25-6-7-30-20(9-25,10-26)11-27;1-18-14(22)9-4-2-3-8(7-9)11-6-5-10-12(17)20-15(16)21-13(10)19-11;1-10(2,3)17-9(15)12-4-5-16-11(6-12,7-13)8-14;8-4-6(5-9)3-7-1-2-10-6;4*1-3-5-6-4-2;/h4-13H,14-20H2,1-3H3;2-6,9,28-29H,7-8,10-12H2,1H3,(H,23,30)(H2,22,24,25,26);1-5,8,27-28H,6-7,9-11H2,(H2,22,29)(H2,21,23,24,25);1-5,8,26-27H,6-7,9-11H2,(H,28,29)(H2,21,22,23,24);2-7H,1H3,(H,18,22)(H2,17,19,20,21);13-14H,4-8H2,1-3H3;7-9H,1-5H2;4*3-5H2,1-2H3;1H.

What are the key properties of 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride?

3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride has a molecular weight of 2771.13 g/mol, XLogP of 11.83, 41 rotatable bonds, 19 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[2,2-bis(hydroxymethyl)morpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;tert-butyl 2,2-bis(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 2,2-bis(phenylmethoxymethyl)morpholine-4-carboxylate;tetrakis(1-ethoxypropane);[2-(hydroxymethyl)morpholin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 157462696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).