5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid

C8H11N3O4 — CID 170922078

IUPAC5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid
SMILESCN(C)CC1C(=O)NC(=O)N=C1C(=O)O
InChIInChI=1S/C8H11N3O4/c1-11(2)3-4-5(7(13)14)9-8(15)10-6(4)12/h4H,3H2,1-2H3,(H,13,14)(H,10,12,15)
InChIKeyFOVGDDPGQSARMY-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.06
Rot. Bonds3

About 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid

5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid (PubChem CID 170922078) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid
PubChem CID170922078
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid
SMILESCN(C)CC1C(=O)NC(=O)N=C1C(=O)O
InChIInChI=1S/C8H11N3O4/c1-11(2)3-4-5(7(13)14)9-8(15)10-6(4)12/h4H,3H2,1-2H3,(H,13,14)(H,10,12,15)
InChIKeyFOVGDDPGQSARMY-UHFFFAOYSA-N
XLogP-1.06
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid (CID 170922078) is 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid is CN(C)CC1C(=O)NC(=O)N=C1C(=O)O.
What is the InChIKey of 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid?
The InChIKey is FOVGDDPGQSARMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-11(2)3-4-5(7(13)14)9-8(15)10-6(4)12/h4H,3H2,1-2H3,(H,13,14)(H,10,12,15).
What are the key properties of 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid?
5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2,6-dioxo-5H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 170922078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).