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

C6H7N3O4 — CID 83482974

IUPAC2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
SMILESNc1c(CC(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O4/c7-4-2(1-3(10)11)8-6(13)9-5(4)12/h1,7H2,(H,10,11)(H2,8,9,12,13)
InChIKeyFKERYXQTASSNRM-UHFFFAOYSA-N
MW185.14 g/mol
LogP-1.73
Rot. Bonds2

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

2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 83482974) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID83482974
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
SMILESNc1c(CC(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O4/c7-4-2(1-3(10)11)8-6(13)9-5(4)12/h1,7H2,(H,10,11)(H2,8,9,12,13)
InChIKeyFKERYXQTASSNRM-UHFFFAOYSA-N
XLogP-1.73
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Uracil-4-acetic acid
CID 73271
2-(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)acetic acid, oxamethane
CID 18529801
2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 70284120
2-(5-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetic acid
CID 83485353
2-[5-(aminomethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetic acid
CID 151414218
2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
CID 3025900
Ethyl 2-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetate
CID 45093301
2-(5-Carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid
CID 57366890
2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 82398486
2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 82665183
2-(5-chloro-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 83867958

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid (CID 83482974) is 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid is Nc1c(CC(=O)O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is FKERYXQTASSNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c7-4-2(1-3(10)11)8-6(13)9-5(4)12/h1,7H2,(H,10,11)(H2,8,9,12,13).
What are the key properties of 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 185.14 g/mol, XLogP of -1.73, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83482974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).