2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate

C14H23N5O6 — CID 149310253

IUPAC2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)CC1O
InChIInChI=1S/C14H23N5O6/c15-3-4-17-13(23)24-6-2-14(8-20)9(21)7-11(25-14)19-5-1-10(16)18-12(19)22/h1,5,9,11,20-21H,2-4,6-8,15H2,(H,17,23)(H2,16,18,22)/t9?,11-,14-/m1/s1
InChIKeyXYLXRSYQQDHLST-ZZNDMADYSA-N
MW357.37 g/mol
LogP-2.09
Rot. Bonds7

About 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate

2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate (PubChem CID 149310253) has the molecular formula C14H23N5O6 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Name2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate
PubChem CID149310253
Molecular FormulaC14H23N5O6
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC Name2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)CC1O
InChIInChI=1S/C14H23N5O6/c15-3-4-17-13(23)24-6-2-14(8-20)9(21)7-11(25-14)19-5-1-10(16)18-12(19)22/h1,5,9,11,20-21H,2-4,6-8,15H2,(H,17,23)(H2,16,18,22)/t9?,11-,14-/m1/s1
InChIKeyXYLXRSYQQDHLST-ZZNDMADYSA-N
XLogP-2.09
TPSA174.95 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

4-amino-1-[5-(chloromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 123858985
4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 100972802
4-amino-1-[(2S,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 176809371
[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 153174258
4-amino-1-[(1S,3R,8S)-8-hydroxy-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.1]octan-3-yl]pyrimidin-2-one
CID 21345057
[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl N-(3-aminopropyl)carbamate
CID 511269
[[5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 123206309
4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 174058525
4-amino-1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one
CID 67875655
4-amino-1-[3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22677597
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
4-amino-1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 14133066

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate?
The IUPAC name of 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate (CID 149310253) is 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate.
What is the SMILES notation for 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate?
The canonical SMILES for 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate is NCCNC(=O)OCC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)CC1O.
What is the InChIKey of 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate?
The InChIKey is XYLXRSYQQDHLST-ZZNDMADYSA-N. The full InChI is InChI=1S/C14H23N5O6/c15-3-4-17-13(23)24-6-2-14(8-20)9(21)7-11(25-14)19-5-1-10(16)18-12(19)22/h1,5,9,11,20-21H,2-4,6-8,15H2,(H,17,23)(H2,16,18,22)/t9?,11-,14-/m1/s1.
What are the key properties of 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate?
2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate has a molecular weight of 357.37 g/mol, XLogP of -2.09, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]ethyl N-(2-aminoethyl)carbamate is sourced from PubChem (CID 149310253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).