N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide

C11H16N4O5 — CID 175676585

IUPACN-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C11H16N4O5/c1-5(17)13-8-9(18)6(4-16)20-10(8)15-3-2-7(12)14-11(15)19/h2-3,6,8-10,16,18H,4H2,1H3,(H,13,17)(H2,12,14,19)/t6-,8-,9-,10-/m1/s1
InChIKeyXOGOBRBUCMOCER-PEBGCTIMSA-N
MW284.27 g/mol
LogP-2.42
Rot. Bonds3

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

N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide (PubChem CID 175676585) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
PubChem CID175676585
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC NameN-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C11H16N4O5/c1-5(17)13-8-9(18)6(4-16)20-10(8)15-3-2-7(12)14-11(15)19/h2-3,6,8-10,16,18H,4H2,1H3,(H,13,17)(H2,12,14,19)/t6-,8-,9-,10-/m1/s1
InChIKeyXOGOBRBUCMOCER-PEBGCTIMSA-N
XLogP-2.42
TPSA139.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 135354225
(2S)-2,6-diamino-N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide
CID 22899181
sodium;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydride
CID 173204866
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;piperazine
CID 174523119
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142242
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10848727
4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142243
4-amino-1-[(2R,3S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71209795

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide (CID 175676585) is N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide is CC(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O.
What is the InChIKey of N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide?
The InChIKey is XOGOBRBUCMOCER-PEBGCTIMSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-5(17)13-8-9(18)6(4-16)20-10(8)15-3-2-7(12)14-11(15)19/h2-3,6,8-10,16,18H,4H2,1H3,(H,13,17)(H2,12,14,19)/t6-,8-,9-,10-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide?
N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide has a molecular weight of 284.27 g/mol, XLogP of -2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 175676585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).