2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

C10H13N3O4 — CID 43145171

IUPAC2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC(N)=O)c(C)c1CC(=O)O
InChIInChI=1S/C10H13N3O4/c1-5-7(3-9(15)16)6(2)13(4-8(11)14)10(17)12-5/h3-4H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyVBJGWRAUPDANPE-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.03
Rot. Bonds4

About 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43145171) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43145171
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC(N)=O)c(C)c1CC(=O)O
InChIInChI=1S/C10H13N3O4/c1-5-7(3-9(15)16)6(2)13(4-8(11)14)10(17)12-5/h3-4H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyVBJGWRAUPDANPE-UHFFFAOYSA-N
XLogP-1.03
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-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

Related Compounds

2-(1,4,6-Trimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43112140
2-[1-[2-(Dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145177
2-(4,6-Dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid
CID 43145179
2-(1-Ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145199
2-(4,6-Dimethyl-2-oxo-1-propylpyrimidin-5-yl)acetic acid
CID 43145206
3-[4,6-Dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]propanoic acid
CID 43310689
2-[4,6-Dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid
CID 43310690
3-[1-[2-(Dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 43311108
2-[1-[2-(Dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43311109
3-[1-(2-Amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 43327678
2-[1-(2-Methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43327741
2-[1-[2-(Diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43327768

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43145171) is 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is Cc1nc(=O)n(CC(N)=O)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is VBJGWRAUPDANPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5-7(3-9(15)16)6(2)13(4-8(11)14)10(17)12-5/h3-4H2,1-2H3,(H2,11,14)(H,15,16).
What are the key properties of 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43145171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).