2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

C7H9N3O4 — CID 150959935

IUPAC2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESNCc1[nH]c(=O)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C7H9N3O4/c8-2-4-3(1-5(11)12)6(13)10-7(14)9-4/h1-2,8H2,(H,11,12)(H2,9,10,13,14)
InChIKeyLLWPKTDSDUQBFY-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.85
Rot. Bonds3

About 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 150959935) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID150959935
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESNCc1[nH]c(=O)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C7H9N3O4/c8-2-4-3(1-5(11)12)6(13)10-7(14)9-4/h1-2,8H2,(H,11,12)(H2,9,10,13,14)
InChIKeyLLWPKTDSDUQBFY-UHFFFAOYSA-N
XLogP-1.85
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (CID 150959935) is 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is NCc1[nH]c(=O)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is LLWPKTDSDUQBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c8-2-4-3(1-5(11)12)6(13)10-7(14)9-4/h1-2,8H2,(H,11,12)(H2,9,10,13,14).
What are the key properties of 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.85, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 150959935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).