4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide

C29H38N4O5 — CID 122425116

About 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide

4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide (PubChem CID 122425116) has the molecular formula C29H38N4O5 and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide
• PubChem CID: 122425116
• Molecular Formula: C29H38N4O5
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.28
• IUPAC Name: 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide
• SMILES: CC(C)OC[C@H]1O[C@@H](n2cc(C(=O)NCCc3cccc4ccccc34)c(N)nc2=O)[C@@H](C)C1OC(C)C
• InChI: InChI=1S/C29H38N4O5/c1-17(2)36-16-24-25(37-18(3)4)19(5)28(38-24)33-15-23(26(30)32-29(33)35)27(34)31-14-13-21-11-8-10-20-9-6-7-12-22(20)21/h6-12,15,17-19,24-25,28H,13-14,16H2,1-5H3,(H,31,34)(H2,30,32,35)/t19-,24+,25?,28+/m0/s1
• InChIKey: YFWJCFWQBJZZRD-VWYMHLTQSA-N
• XLogP: 3.70
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide?

The IUPAC name of 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide (CID 122425116) is 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide.

What is the SMILES notation for 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide?

The canonical SMILES for 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide is CC(C)OC[C@H]1O[C@@H](n2cc(C(=O)NCCc3cccc4ccccc34)c(N)nc2=O)[C@@H](C)C1OC(C)C.

What is the InChIKey of 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide?

The InChIKey is YFWJCFWQBJZZRD-VWYMHLTQSA-N. The full InChI is InChI=1S/C29H38N4O5/c1-17(2)36-16-24-25(37-18(3)4)19(5)28(38-24)33-15-23(26(30)32-29(33)35)27(34)31-14-13-21-11-8-10-20-9-6-7-12-22(20)21/h6-12,15,17-19,24-25,28H,13-14,16H2,1-5H3,(H,31,34)(H2,30,32,35)/t19-,24+,25?,28+/m0/s1.

What are the key properties of 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide?

4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 122425116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).