5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide

C10H12N6O5 — CID 158344063

IUPAC5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(O)nc[nH]c1=O.Nc1c(O)nc[nH]c1=O
InChIInChI=1S/C6H7N3O3.C4H5N3O2/c1-3(10)9-4-5(11)7-2-8-6(4)12;5-2-3(8)6-1-7-4(2)9/h2H,1H3,(H,9,10)(H2,7,8,11,12);1H,5H2,(H2,6,7,8,9)
InChIKeyGRNAXNDJRQHLBL-UHFFFAOYSA-N
MW296.24 g/mol
LogP-1.51
Rot. Bonds1

About 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide

5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 158344063) has the molecular formula C10H12N6O5 and a molecular weight of 296.24 g/mol. Its IUPAC name is 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID158344063
Molecular FormulaC10H12N6O5
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC Name5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(O)nc[nH]c1=O.Nc1c(O)nc[nH]c1=O
InChIInChI=1S/C6H7N3O3.C4H5N3O2/c1-3(10)9-4-5(11)7-2-8-6(4)12;5-2-3(8)6-1-7-4(2)9/h2H,1H3,(H,9,10)(H2,7,8,11,12);1H,5H2,(H2,6,7,8,9)
InChIKeyGRNAXNDJRQHLBL-UHFFFAOYSA-N
XLogP-1.51
TPSA187.08 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.24
LogP ≤ 5-1.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

Pyrimidine, 4-amino-5-ethylamino-6-hydroxy-
CID 169130890
5-(Methylamino)pyrimidine-4,6-diol
CID 73011333
n-(6-Methyl-4-oxo-1,4-dihydropyrimidin-5-yl)acetamide
CID 135426857
N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 21939532
4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
CID 66758794
N-(4,6-dihydroxypyrimidin-5-yl)acetamide
CID 90036594
N-(4-Amino-6-oxo-1,6-dihydropyrimidin-5-YL)acetamide
CID 135441457
N-(4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)isobutyramide
CID 135741768
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
CID 135802456
5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 157117099
N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide
CID 174553679
N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate
CID 57371879

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 158344063) is 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide is CC(=O)Nc1c(O)nc[nH]c1=O.Nc1c(O)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is GRNAXNDJRQHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3.C4H5N3O2/c1-3(10)9-4-5(11)7-2-8-6(4)12;5-2-3(8)6-1-7-4(2)9/h2H,1H3,(H,9,10)(H2,7,8,11,12);1H,5H2,(H2,6,7,8,9).
What are the key properties of 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide?
5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 296.24 g/mol, XLogP of -1.51, 1 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 158344063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).