(3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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

C30H38N4O6 — CID 166005967

About (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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

(3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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 (PubChem CID 166005967) has the molecular formula C30H38N4O6 and a molecular weight of 550.66 g/mol. Its IUPAC name is (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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.

Molecular Properties

• Compound Name: (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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
• PubChem CID: 166005967
• Molecular Formula: C30H38N4O6
• Molecular Weight: 550.66 g/mol
• Exact Mass: 550.28
• IUPAC Name: (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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
• SMILES: CC[C@]1(C)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@@H]2COC)C(N)=N1
• InChI: InChI=1S/C30H38N4O6/c1-6-30(4)14-23(35)34(28(31)33-30)25-18(15-38-5)16-39-21-12-11-17(13-20(21)25)27(37)32-24-19-9-7-8-10-22(19)40-29(2,3)26(24)36/h7-13,18,24-26,36H,6,14-16H2,1-5H3,(H2,31,33)(H,32,37)/t18-,24+,25+,26-,30+/m0/s1
• InChIKey: CFNYAPDDSSNTBR-ZOHDLHDRSA-N
• XLogP: 3.10
• TPSA: 135.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.66
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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?

The IUPAC name of (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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 (CID 166005967) is (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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.

What is the SMILES notation for (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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?

The canonical SMILES for (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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 is CC[C@]1(C)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@@H]2COC)C(N)=N1.

What is the InChIKey of (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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?

The InChIKey is CFNYAPDDSSNTBR-ZOHDLHDRSA-N. The full InChI is InChI=1S/C30H38N4O6/c1-6-30(4)14-23(35)34(28(31)33-30)25-18(15-38-5)16-39-21-12-11-17(13-20(21)25)27(37)32-24-19-9-7-8-10-22(19)40-29(2,3)26(24)36/h7-13,18,24-26,36H,6,14-16H2,1-5H3,(H2,31,33)(H,32,37)/t18-,24+,25+,26-,30+/m0/s1.

What are the key properties of (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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?

(3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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 has a molecular weight of 550.66 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-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 is sourced from PubChem (CID 166005967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).