4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide

C12H16N4O6 — CID 174190900

IUPAC4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide
SMILESCC(=O)Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(N)=O
InChIInChI=1S/C12H16N4O6/c1-5(18)14-11-6(10(13)20)3-16(12(21)15-11)9-2-7(19)8(4-17)22-9/h3,7-9,17,19H,2,4H2,1H3,(H2,13,20)(H,14,15,18,21)/t7-,8+,9+/m0/s1
InChIKeyHGAPQEAGTZKYOU-DJLDLDEBSA-N
MW312.28 g/mol
LogP-2.06
Rot. Bonds4

About 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide

4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide (PubChem CID 174190900) has the molecular formula C12H16N4O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide
PubChem CID174190900
Molecular FormulaC12H16N4O6
Molecular Weight312.28 g/mol
Exact Mass312.11
IUPAC Name4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide
SMILESCC(=O)Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(N)=O
InChIInChI=1S/C12H16N4O6/c1-5(18)14-11-6(10(13)20)3-16(12(21)15-11)9-2-7(19)8(4-17)22-9/h3,7-9,17,19H,2,4H2,1H3,(H2,13,20)(H,14,15,18,21)/t7-,8+,9+/m0/s1
InChIKeyHGAPQEAGTZKYOU-DJLDLDEBSA-N
XLogP-2.06
TPSA156.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide with MolForge

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Related Compounds

5-acetyl-4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 72736985
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylic acid
CID 23112726
4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 10540173
5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one
CID 174063487
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
[(2R,3S,5R)-3-acetyloxy-5-[5-carbamoyl-4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
CID 87408932
2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]acetic acid
CID 54053326
5-ethynyl-4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 87409510
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-3-oxobut-1-enyl]pyrimidin-2-one
CID 70564122
(E)-3-[4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoic acid
CID 87408355
4-(hexylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 162647981
3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one
CID 22211371

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide?
The IUPAC name of 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide (CID 174190900) is 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide?
The canonical SMILES for 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide is CC(=O)Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(N)=O.
What is the InChIKey of 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide?
The InChIKey is HGAPQEAGTZKYOU-DJLDLDEBSA-N. The full InChI is InChI=1S/C12H16N4O6/c1-5(18)14-11-6(10(13)20)3-16(12(21)15-11)9-2-7(19)8(4-17)22-9/h3,7-9,17,19H,2,4H2,1H3,(H2,13,20)(H,14,15,18,21)/t7-,8+,9+/m0/s1.
What are the key properties of 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide?
4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide has a molecular weight of 312.28 g/mol, XLogP of -2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 174190900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).