4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide

C25H36N4O5 — CID 122425313

About 4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide

4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 122425313) has the molecular formula C25H36N4O5 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide
• PubChem CID: 122425313
• Molecular Formula: C25H36N4O5
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.27
• IUPAC Name: 4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide
• SMILES: CC(C)OC[C@H]1O[C@@H](n2cc(C(=O)NCCc3ccccc3)c(N)nc2=O)C(C)[C@H]1OC(C)C
• InChI: InChI=1S/C25H36N4O5/c1-15(2)32-14-20-21(33-16(3)4)17(5)24(34-20)29-13-19(22(26)28-25(29)31)23(30)27-12-11-18-9-7-6-8-10-18/h6-10,13,15-17,20-21,24H,11-12,14H2,1-5H3,(H,27,30)(H2,26,28,31)/t17?,20-,21-,24-/m1/s1
• InChIKey: YTAYMRYIJSQGHW-GDVDBPDWSA-N
• XLogP: 2.55
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 122425313) is 4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide.

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

The canonical SMILES for 4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide is CC(C)OC[C@H]1O[C@@H](n2cc(C(=O)NCCc3ccccc3)c(N)nc2=O)C(C)[C@H]1OC(C)C.

What is the InChIKey of 4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide?

The InChIKey is YTAYMRYIJSQGHW-GDVDBPDWSA-N. The full InChI is InChI=1S/C25H36N4O5/c1-15(2)32-14-20-21(33-16(3)4)17(5)24(34-20)29-13-19(22(26)28-25(29)31)23(30)27-12-11-18-9-7-6-8-10-18/h6-10,13,15-17,20-21,24H,11-12,14H2,1-5H3,(H,27,30)(H2,26,28,31)/t17?,20-,21-,24-/m1/s1.

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

4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 2.55, 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,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 122425313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).