ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C29H34Br2N6O4 — CID 58808408

About ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 58808408) has the molecular formula C29H34Br2N6O4 and a molecular weight of 690.44 g/mol. Its IUPAC name is ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
• PubChem CID: 58808408
• Molecular Formula: C29H34Br2N6O4
• Molecular Weight: 690.44 g/mol
• Exact Mass: 688.10
• IUPAC Name: ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
• SMILES: CCOC(=O)N1c2ccc(OC)nc2C(N(Cc2cc(Br)cc(Br)c2)c2ncc(N3CCOCC3)cn2)C[C@H]1CC
• InChI: InChI=1S/C29H34Br2N6O4/c1-4-22-15-25(27-24(6-7-26(34-27)39-3)37(22)29(38)41-5-2)36(18-19-12-20(30)14-21(31)13-19)28-32-16-23(17-33-28)35-8-10-40-11-9-35/h6-7,12-14,16-17,22,25H,4-5,8-11,15,18H2,1-3H3/t22-,25?/m1/s1
• InChIKey: BHPPQXGURONHML-UFUCKMQHSA-N
• XLogP: 6.13
• TPSA: 93.15 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.44
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?

The IUPAC name of ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 58808408) is ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

What is the SMILES notation for ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?

The canonical SMILES for ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is CCOC(=O)N1c2ccc(OC)nc2C(N(Cc2cc(Br)cc(Br)c2)c2ncc(N3CCOCC3)cn2)C[C@H]1CC.

What is the InChIKey of ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?

The InChIKey is BHPPQXGURONHML-UFUCKMQHSA-N. The full InChI is InChI=1S/C29H34Br2N6O4/c1-4-22-15-25(27-24(6-7-26(34-27)39-3)37(22)29(38)41-5-2)36(18-19-12-20(30)14-21(31)13-19)28-32-16-23(17-33-28)35-8-10-40-11-9-35/h6-7,12-14,16-17,22,25H,4-5,8-11,15,18H2,1-3H3/t22-,25?/m1/s1.

What are the key properties of ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?

ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 690.44 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2R)-4-[(3,5-dibromophenyl)methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 58808408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).