1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide

C23H25N3O7 — CID 134227327

IUPAC1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCc2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C23H25N3O7/c1-32-19-18(28)17(12-27)33-22(19)26-11-16(21(30)25-23(26)31)20(29)24-10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11,17-19,22,27-28H,9-10,12H2,1H3,(H,24,29)(H,25,30,31)/t17-,18+,19-,22-/m1/s1
InChIKeyJOUCTPXQJZTRNK-VQQMMKBISA-N
MW455.47 g/mol
LogP-0.07
Rot. Bonds7

About 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide

1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 134227327) has the molecular formula C23H25N3O7 and a molecular weight of 455.47 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID134227327
Molecular FormulaC23H25N3O7
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC Name1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCc2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C23H25N3O7/c1-32-19-18(28)17(12-27)33-22(19)26-11-16(21(30)25-23(26)31)20(29)24-10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11,17-19,22,27-28H,9-10,12H2,1H3,(H,24,29)(H,25,30,31)/t17-,18+,19-,22-/m1/s1
InChIKeyJOUCTPXQJZTRNK-VQQMMKBISA-N
XLogP-0.07
TPSA142.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide with MolForge

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Related Compounds

1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxo-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
CID 174190891
[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] hypofluorite
CID 134227330
methyl 2-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 118370248
[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methylurea
CID 150002970
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234
N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide
CID 175500160
5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 137346607
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 161248707
5-(2-bromophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 167432424
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide
CID 175278542
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetic acid;2-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide
CID 175209111

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide (CID 134227327) is 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide is CO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCc2cccc3ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is JOUCTPXQJZTRNK-VQQMMKBISA-N. The full InChI is InChI=1S/C23H25N3O7/c1-32-19-18(28)17(12-27)33-22(19)26-11-16(21(30)25-23(26)31)20(29)24-10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11,17-19,22,27-28H,9-10,12H2,1H3,(H,24,29)(H,25,30,31)/t17-,18+,19-,22-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide?
1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 455.47 g/mol, XLogP of -0.07, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(2-naphthalen-1-ylethyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 134227327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).