(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide

C119H150N16O18 — CID 167677769

About (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide

(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide (PubChem CID 167677769) has the molecular formula C119H150N16O18 and a molecular weight of 2092.60 g/mol. Its IUPAC name is (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide
• PubChem CID: 167677769
• Molecular Formula: C119H150N16O18
• Molecular Weight: 2092.60 g/mol
• Exact Mass: 2091.13
• IUPAC Name: (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide
• SMILES: CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@H]4CC(C)(C)Oc5ccc(C)cc54)cc32)C(N)=N1.CCC1(CC)C[C@@H](N2C(=O)CC(C)(C)N=C2N)c2cc(C(=O)N[C@@H]3c4ccccc4C[C@H]3O)ccc2O1.CCC1(CC)C[C@@H](N2C(=O)CC(C)(C)N=C2N)c2cc(C(=O)N[C@@H]3c4ccccc4OC[C@H]3O)ccc2O1.CCC1C[C@@H](N2C(=O)CC(CC)(CC)N=C2N)c2cc(C(=O)NC3c4ccccc4OC(C)(C)C3O)ccc2O1
• InChI: InChI=1S/C31H40N4O5.C30H38N4O4.C29H36N4O5.C29H36N4O4/c1-6-19-16-22(35-25(36)17-31(7-2,8-3)34-29(35)32)21-15-18(13-14-23(21)39-19)28(38)33-26-20-11-9-10-12-24(20)40-30(4,5)27(26)37;1-6-30(7-2)17-26(35)34(28(31)33-30)23-12-13-37-24-11-9-19(15-21(23)24)27(36)32-22-16-29(4,5)38-25-10-8-18(3)14-20(22)25;1-5-29(6-2)14-20(33-24(35)15-28(3,4)32-27(33)30)19-13-17(11-12-23(19)38-29)26(36)31-25-18-9-7-8-10-22(18)37-16-21(25)34;1-5-29(6-2)15-21(33-24(35)16-28(3,4)32-27(33)30)20-13-18(11-12-23(20)37-29)26(36)31-25-19-10-8-7-9-17(19)14-22(25)34/h9-15,19,22,26-27,37H,6-8,16-17H2,1-5H3,(H2,32,34)(H,33,38);8-11,14-15,22-23H,6-7,12-13,16-17H2,1-5H3,(H2,31,33)(H,32,36);7-13,20-21,25,34H,5-6,14-16H2,1-4H3,(H2,30,32)(H,31,36);7-13,21-22,25,34H,5-6,14-16H2,1-4H3,(H2,30,32)(H,31,36)/t19?,22-,26?,27?;22-,23+;20-,21-,25-;21-,22-,25-/m1011/s1
• InChIKey: VBNLTBXPIAFSGU-JYWBRFMYSA-N
• XLogP: 16.76
• TPSA: 476.46 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2092.60
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide?

The IUPAC name of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide (CID 167677769) is (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide.

What is the SMILES notation for (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide?

The canonical SMILES for (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide is CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@H]4CC(C)(C)Oc5ccc(C)cc54)cc32)C(N)=N1.CCC1(CC)C[C@@H](N2C(=O)CC(C)(C)N=C2N)c2cc(C(=O)N[C@@H]3c4ccccc4C[C@H]3O)ccc2O1.CCC1(CC)C[C@@H](N2C(=O)CC(C)(C)N=C2N)c2cc(C(=O)N[C@@H]3c4ccccc4OC[C@H]3O)ccc2O1.CCC1C[C@@H](N2C(=O)CC(CC)(CC)N=C2N)c2cc(C(=O)NC3c4ccccc4OC(C)(C)C3O)ccc2O1.

What is the InChIKey of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide?

The InChIKey is VBNLTBXPIAFSGU-JYWBRFMYSA-N. The full InChI is InChI=1S/C31H40N4O5.C30H38N4O4.C29H36N4O5.C29H36N4O4/c1-6-19-16-22(35-25(36)17-31(7-2,8-3)34-29(35)32)21-15-18(13-14-23(21)39-19)28(38)33-26-20-11-9-10-12-24(20)40-30(4,5)27(26)37;1-6-30(7-2)17-26(35)34(28(31)33-30)23-12-13-37-24-11-9-19(15-21(23)24)27(36)32-22-16-29(4,5)38-25-10-8-18(3)14-20(22)25;1-5-29(6-2)14-20(33-24(35)15-28(3,4)32-27(33)30)19-13-17(11-12-23(19)38-29)26(36)31-25-18-9-7-8-10-22(18)37-16-21(25)34;1-5-29(6-2)15-21(33-24(35)16-28(3,4)32-27(33)30)20-13-18(11-12-23(20)37-29)26(36)31-25-19-10-8-7-9-17(19)14-22(25)34/h9-15,19,22,26-27,37H,6-8,16-17H2,1-5H3,(H2,32,34)(H,33,38);8-11,14-15,22-23H,6-7,12-13,16-17H2,1-5H3,(H2,31,33)(H,32,36);7-13,20-21,25,34H,5-6,14-16H2,1-4H3,(H2,30,32)(H,31,36);7-13,21-22,25,34H,5-6,14-16H2,1-4H3,(H2,30,32)(H,31,36)/t19?,22-,26?,27?;22-,23+;20-,21-,25-;21-,22-,25-/m1011/s1.

What are the key properties of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide?

(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide has a molecular weight of 2092.60 g/mol, XLogP of 16.76, 21 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydrochromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2,2-diethyl-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydrochromene-6-carboxamide is sourced from PubChem (CID 167677769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).