6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C5H5N3O4 — CID 13316727

IUPAC6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESNc1[nH]c(=O)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C5H5N3O4/c6-2-1(4(10)11)3(9)8-5(12)7-2/h(H,10,11)(H4,6,7,8,9,12)
InChIKeyQSEVZRKZCZRCDI-UHFFFAOYSA-N
MW171.11 g/mol
LogP-1.66
Rot. Bonds1

About 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 13316727) has the molecular formula C5H5N3O4 and a molecular weight of 171.11 g/mol. Its IUPAC name is 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID13316727
Molecular FormulaC5H5N3O4
Molecular Weight171.11 g/mol
Exact Mass171.03
IUPAC Name6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESNc1[nH]c(=O)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C5H5N3O4/c6-2-1(4(10)11)3(9)8-5(12)7-2/h(H,10,11)(H4,6,7,8,9,12)
InChIKeyQSEVZRKZCZRCDI-UHFFFAOYSA-N
XLogP-1.66
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.11
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 381311
CID 381311
CID 327176
CID 327176
CID 176000103
CID 176000103
CID 87238
CID 87238
CID 34177555
CID 34177555
CID 66988333
CID 66988333
CID 134200120
CID 134200120
CID 136041184
CID 136041184
CID 176706166
CID 176706166
CID 84025026
CID 84025026
CID 100023906
CID 100023906

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 13316727) is 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is Nc1[nH]c(=O)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is QSEVZRKZCZRCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O4/c6-2-1(4(10)11)3(9)8-5(12)7-2/h(H,10,11)(H4,6,7,8,9,12).
What are the key properties of 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 171.11 g/mol, XLogP of -1.66, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 13316727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).