N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide

C11H16N4O5 — CID 46903720

IUPACN-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H16N4O5/c1-5(16)13-4-6-8(17)9(18)10(20-6)15-3-2-7(12)14-11(15)19/h2-3,6,8-10,17-18H,4H2,1H3,(H,13,16)(H2,12,14,19)/t6-,8-,9-,10-/m1/s1
InChIKeyLXZCHTBWCDSVPH-PEBGCTIMSA-N
MW284.27 g/mol
LogP-2.42
Rot. Bonds3

About N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide

N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide (PubChem CID 46903720) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide
PubChem CID46903720
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC NameN-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H16N4O5/c1-5(16)13-4-6-8(17)9(18)10(20-6)15-3-2-7(12)14-11(15)19/h2-3,6,8-10,17-18H,4H2,1H3,(H,13,16)(H2,12,14,19)/t6-,8-,9-,10-/m1/s1
InChIKeyLXZCHTBWCDSVPH-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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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide (CID 46903720) is N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide?
The InChIKey is LXZCHTBWCDSVPH-PEBGCTIMSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-5(16)13-4-6-8(17)9(18)10(20-6)15-3-2-7(12)14-11(15)19/h2-3,6,8-10,17-18H,4H2,1H3,(H,13,16)(H2,12,14,19)/t6-,8-,9-,10-/m1/s1.
What are the key properties of N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide?
N-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]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,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 46903720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).