2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid

C8H11N3O3 — CID 82399133

IUPAC2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESCN(C)c1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C8H11N3O3/c1-11(2)6-3-5(4-7(12)13)9-8(14)10-6/h3H,4H2,1-2H3,(H,12,13)(H,9,10,14)
InChIKeyUXEZLNKPMHQWDN-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.54
Rot. Bonds3

About 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid

2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid (PubChem CID 82399133) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
PubChem CID82399133
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESCN(C)c1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C8H11N3O3/c1-11(2)6-3-5(4-7(12)13)9-8(14)10-6/h3H,4H2,1-2H3,(H,12,13)(H,9,10,14)
InChIKeyUXEZLNKPMHQWDN-UHFFFAOYSA-N
XLogP-0.54
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid (CID 82399133) is 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid is CN(C)c1cc(CC(=O)O)[nH]c(=O)n1.
What is the InChIKey of 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The InChIKey is UXEZLNKPMHQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11(2)6-3-5(4-7(12)13)9-8(14)10-6/h3H,4H2,1-2H3,(H,12,13)(H,9,10,14).
What are the key properties of 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid has a molecular weight of 197.19 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 82399133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).