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

C23H26N4O6 — CID 174190950

IUPAC4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)NC(C)c2ccc3ccccc3c2)c(N)nc1=O
InChIInChI=1S/C23H26N4O6/c1-12(14-8-7-13-5-3-4-6-15(13)9-14)25-21(30)16-10-27(23(31)26-20(16)24)22-19(32-2)18(29)17(11-28)33-22/h3-10,12,17-19,22,28-29H,11H2,1-2H3,(H,25,30)(H2,24,26,31)/t12?,17-,18+,19-,22-/m1/s1
InChIKeyUOMWEQHQGJTWBG-NNYZKMHVSA-N
MW454.48 g/mol
LogP0.74
Rot. Bonds6

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

4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide (PubChem CID 174190950) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide
PubChem CID174190950
Molecular FormulaC23H26N4O6
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)NC(C)c2ccc3ccccc3c2)c(N)nc1=O
InChIInChI=1S/C23H26N4O6/c1-12(14-8-7-13-5-3-4-6-15(13)9-14)25-21(30)16-10-27(23(31)26-20(16)24)22-19(32-2)18(29)17(11-28)33-22/h3-10,12,17-19,22,28-29H,11H2,1-2H3,(H,25,30)(H2,24,26,31)/t12?,17-,18+,19-,22-/m1/s1
InChIKeyUOMWEQHQGJTWBG-NNYZKMHVSA-N
XLogP0.74
TPSA148.93 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-amino-5-chloro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 162660228
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
4-amino-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 97311787
4-amino-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3,5-triazin-2-one
CID 77227669
4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878
ethyl 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxylate
CID 67463674
pentyl 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylate
CID 150945404
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
2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one
CID 118149133
methyl 3-[4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate
CID 54077597

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide (CID 174190950) is 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide is CO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)NC(C)c2ccc3ccccc3c2)c(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide?
The InChIKey is UOMWEQHQGJTWBG-NNYZKMHVSA-N. The full InChI is InChI=1S/C23H26N4O6/c1-12(14-8-7-13-5-3-4-6-15(13)9-14)25-21(30)16-10-27(23(31)26-20(16)24)22-19(32-2)18(29)17(11-28)33-22/h3-10,12,17-19,22,28-29H,11H2,1-2H3,(H,25,30)(H2,24,26,31)/t12?,17-,18+,19-,22-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide?
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-N-(1-naphthalen-2-ylethyl)-2-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 174190950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).