[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate

C16H17N3O6 — CID 176863778

IUPAC[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1ccn([C@H]2CC(O)[C@@H](CO)O2)c(=O)n1
InChIInChI=1S/C16H17N3O6/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-15(19)22)25-16(23)17-10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,23)/t11?,12-,14-/m1/s1
InChIKeyVMLSTYUIKGDIBO-JWCMVYSZSA-N
MW347.33 g/mol
LogP0.49
Rot. Bonds4

About [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate

[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate (PubChem CID 176863778) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate
PubChem CID176863778
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1ccn([C@H]2CC(O)[C@@H](CO)O2)c(=O)n1
InChIInChI=1S/C16H17N3O6/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-15(19)22)25-16(23)17-10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,23)/t11?,12-,14-/m1/s1
InChIKeyVMLSTYUIKGDIBO-JWCMVYSZSA-N
XLogP0.49
TPSA122.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-phenylurea
CID 15375899
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
2-trimethylsilylethyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 102072040
N-[1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 7282363
bis(4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one);aminophosphonous acid
CID 67722421
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-2-one
CID 100999002
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide
CID 10958519
N-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 18736624
N-[1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 155602775
4-anilino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
CID 10871734
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-3-carboxamide
CID 11727293

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate?
The IUPAC name of [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate (CID 176863778) is [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate.
What is the SMILES notation for [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate?
The canonical SMILES for [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate is O=C(Nc1ccccc1)Oc1ccn([C@H]2CC(O)[C@@H](CO)O2)c(=O)n1.
What is the InChIKey of [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate?
The InChIKey is VMLSTYUIKGDIBO-JWCMVYSZSA-N. The full InChI is InChI=1S/C16H17N3O6/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-15(19)22)25-16(23)17-10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,23)/t11?,12-,14-/m1/s1.
What are the key properties of [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate?
[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate has a molecular weight of 347.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate is sourced from PubChem (CID 176863778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).