5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C12H16N6O5 — CID 157117099

IUPAC5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(O)nc(C)[nH]c1=O.Cc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C7H9N3O3.C5H7N3O2/c1-3-8-6(12)5(7(13)9-3)10-4(2)11;1-2-7-4(9)3(6)5(10)8-2/h1-2H3,(H,10,11)(H2,8,9,12,13);6H2,1H3,(H2,7,8,9,10)
InChIKeyAHNNHSCIJWOPRG-UHFFFAOYSA-N
MW324.30 g/mol
LogP-0.89
Rot. Bonds1

About 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 157117099) has the molecular formula C12H16N6O5 and a molecular weight of 324.30 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID157117099
Molecular FormulaC12H16N6O5
Molecular Weight324.30 g/mol
Exact Mass324.12
IUPAC Name5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(O)nc(C)[nH]c1=O.Cc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C7H9N3O3.C5H7N3O2/c1-3-8-6(12)5(7(13)9-3)10-4(2)11;1-2-7-4(9)3(6)5(10)8-2/h1-2H3,(H,10,11)(H2,8,9,12,13);6H2,1H3,(H2,7,8,9,10)
InChIKeyAHNNHSCIJWOPRG-UHFFFAOYSA-N
XLogP-0.89
TPSA187.08 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,6-Dihydroxy-2-methyl-5-pyrimidinyl)acetamide
CID 910746
5-Amino-6-hydroxy-2-methyl-4(3H)-pyrimidinone
CID 13445890
N-(4-hydroxy-2,6-dimethylpyrimidin-5-yl)acetamide
CID 135725016
N-(6-Amino-2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)acetamide
CID 135818376
5-Amino-4,6-dihydroxy-2-methylpyrimidine hydrochloride
CID 13445891
N-(2-Amino-4,6-dihydroxypyrimidin-5-yl)acetamide dihydrate
CID 139081844
5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 22353046
6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione
CID 135733767
4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one
CID 135844142
5-[(4-hydroxy-2,3-dimethyl-6-oxo-1H-pyrimidin-3-ium-5-yl)diazenyl]-2,3,6-trimethylpyrimidin-4-one
CID 136188182
5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 149328354
5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 158344063

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 157117099) is 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CC(=O)Nc1c(O)nc(C)[nH]c1=O.Cc1nc(O)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is AHNNHSCIJWOPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3.C5H7N3O2/c1-3-8-6(12)5(7(13)9-3)10-4(2)11;1-2-7-4(9)3(6)5(10)8-2/h1-2H3,(H,10,11)(H2,8,9,12,13);6H2,1H3,(H2,7,8,9,10).
What are the key properties of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 324.30 g/mol, XLogP of -0.89, 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-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 157117099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).