2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide

C8H12N4O4 — CID 816965

IUPAC2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide
SMILESCNc1[nH]c(=O)n(C)c(=O)c1NC(=O)CO
InChIInChI=1S/C8H12N4O4/c1-9-6-5(10-4(14)3-13)7(15)12(2)8(16)11-6/h9,13H,3H2,1-2H3,(H,10,14)(H,11,16)
InChIKeyKUMGDTSCHXAEFG-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.95
Rot. Bonds3

About 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide

2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide (PubChem CID 816965) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide
PubChem CID816965
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide
SMILESCNc1[nH]c(=O)n(C)c(=O)c1NC(=O)CO
InChIInChI=1S/C8H12N4O4/c1-9-6-5(10-4(14)3-13)7(15)12(2)8(16)11-6/h9,13H,3H2,1-2H3,(H,10,14)(H,11,16)
InChIKeyKUMGDTSCHXAEFG-UHFFFAOYSA-N
XLogP-1.95
TPSA116.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide (CID 816965) is 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide is CNc1[nH]c(=O)n(C)c(=O)c1NC(=O)CO.
What is the InChIKey of 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide?
The InChIKey is KUMGDTSCHXAEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-9-6-5(10-4(14)3-13)7(15)12(2)8(16)11-6/h9,13H,3H2,1-2H3,(H,10,14)(H,11,16).
What are the key properties of 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide?
2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide has a molecular weight of 228.21 g/mol, XLogP of -1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 816965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).