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

C11H17N3O4 — CID 90410776

IUPACN-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(C[C@@H](CO)[C@@H](C)O)c(=O)n1
InChIInChI=1S/C11H17N3O4/c1-7(16)9(6-15)5-14-4-3-10(12-8(2)17)13-11(14)18/h3-4,7,9,15-16H,5-6H2,1-2H3,(H,12,13,17,18)/t7-,9+/m1/s1
InChIKeyMCMMQEBSXSYPKI-APPZFPTMSA-N
MW255.27 g/mol
LogP-0.81
Rot. Bonds5

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

N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 90410776) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID90410776
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(C[C@@H](CO)[C@@H](C)O)c(=O)n1
InChIInChI=1S/C11H17N3O4/c1-7(16)9(6-15)5-14-4-3-10(12-8(2)17)13-11(14)18/h3-4,7,9,15-16H,5-6H2,1-2H3,(H,12,13,17,18)/t7-,9+/m1/s1
InChIKeyMCMMQEBSXSYPKI-APPZFPTMSA-N
XLogP-0.81
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide (CID 90410776) is N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn(C[C@@H](CO)[C@@H](C)O)c(=O)n1.
What is the InChIKey of N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is MCMMQEBSXSYPKI-APPZFPTMSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(16)9(6-15)5-14-4-3-10(12-8(2)17)13-11(14)18/h3-4,7,9,15-16H,5-6H2,1-2H3,(H,12,13,17,18)/t7-,9+/m1/s1.
What are the key properties of N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 255.27 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 90410776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).