2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

C7H9N3O4 — CID 174558233

IUPAC2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(N)C(=O)O
InChIInChI=1S/C7H9N3O4/c1-2-3(4(8)6(12)13)5(11)10-7(14)9-2/h4H,8H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyHQNYCDBMZGTZLS-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.54
Rot. Bonds2

About 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 174558233) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID174558233
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(N)C(=O)O
InChIInChI=1S/C7H9N3O4/c1-2-3(4(8)6(12)13)5(11)10-7(14)9-2/h4H,8H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyHQNYCDBMZGTZLS-UHFFFAOYSA-N
XLogP-1.54
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (CID 174558233) is 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is Cc1[nH]c(=O)[nH]c(=O)c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is HQNYCDBMZGTZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-2-3(4(8)6(12)13)5(11)10-7(14)9-2/h4H,8H2,1H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.54, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 174558233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).