(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate

C67H88N8O14 — CID 167705837

About (3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate

(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate (PubChem CID 167705837) has the molecular formula C67H88N8O14 and a molecular weight of 1229.48 g/mol. Its IUPAC name is (3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate.

Molecular Properties

• Compound Name: (3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate
• PubChem CID: 167705837
• Molecular Formula: C67H88N8O14
• Molecular Weight: 1229.48 g/mol
• Exact Mass: 1228.64
• IUPAC Name: (3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate
• SMILES: CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@H]2COC)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@H]2COC)C(NC(=O)OC(C)(C)C)=N1
• InChI: InChI=1S/C36H48N4O8.C31H40N4O6/c1-9-36(10-2)18-27(41)40(32(39-36)38-33(44)48-34(3,4)5)29-22(19-45-8)20-46-25-16-15-21(17-24(25)29)31(43)37-28-23-13-11-12-14-26(23)47-35(6,7)30(28)42;1-6-31(7-2)15-24(36)35(29(32)34-31)26-19(16-39-5)17-40-22-13-12-18(14-21(22)26)28(38)33-25-20-10-8-9-11-23(20)41-30(3,4)27(25)37/h11-17,22,28-30,42H,9-10,18-20H2,1-8H3,(H,37,43)(H,38,39,44);8-14,19,25-27,37H,6-7,15-17H2,1-5H3,(H2,32,34)(H,33,38)/t22-,28-,29-,30+;19-,25-,26-,27+/m11/s1
• InChIKey: ZCACYZUNGPNJNN-FHWGLPDWSA-N
• XLogP: 8.55
• TPSA: 283.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1229.48
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of (3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate (CID 167705837) is (3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate.

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

The canonical SMILES for (3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate is CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@H]2COC)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@H]2COC)C(NC(=O)OC(C)(C)C)=N1.

What is the InChIKey of (3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate?

The InChIKey is ZCACYZUNGPNJNN-FHWGLPDWSA-N. The full InChI is InChI=1S/C36H48N4O8.C31H40N4O6/c1-9-36(10-2)18-27(41)40(32(39-36)38-33(44)48-34(3,4)5)29-22(19-45-8)20-46-25-16-15-21(17-24(25)29)31(43)37-28-23-13-11-12-14-26(23)47-35(6,7)30(28)42;1-6-31(7-2)15-24(36)35(29(32)34-31)26-19(16-39-5)17-40-22-13-12-18(14-21(22)26)28(38)33-25-20-10-8-9-11-23(20)41-30(3,4)27(25)37/h11-17,22,28-30,42H,9-10,18-20H2,1-8H3,(H,37,43)(H,38,39,44);8-14,19,25-27,37H,6-7,15-17H2,1-5H3,(H2,32,34)(H,33,38)/t22-,28-,29-,30+;19-,25-,26-,27+/m11/s1.

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

(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate has a molecular weight of 1229.48 g/mol, XLogP of 8.55, 14 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate is sourced from PubChem (CID 167705837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).