2-(2,4-dimethoxypyrimidin-5-yl)acetic acid

C8H10N2O4 — CID 55267501

IUPAC2-(2,4-dimethoxypyrimidin-5-yl)acetic acid
SMILESCOc1ncc(CC(=O)O)c(OC)n1
InChIInChI=1S/C8H10N2O4/c1-13-7-5(3-6(11)12)4-9-8(10-7)14-2/h4H,3H2,1-2H3,(H,11,12)
InChIKeyNMFYUGVGVKHQKB-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.12
Rot. Bonds4

About 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid

2-(2,4-dimethoxypyrimidin-5-yl)acetic acid (PubChem CID 55267501) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxypyrimidin-5-yl)acetic acid
PubChem CID55267501
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2,4-dimethoxypyrimidin-5-yl)acetic acid
SMILESCOc1ncc(CC(=O)O)c(OC)n1
InChIInChI=1S/C8H10N2O4/c1-13-7-5(3-6(11)12)4-9-8(10-7)14-2/h4H,3H2,1-2H3,(H,11,12)
InChIKeyNMFYUGVGVKHQKB-UHFFFAOYSA-N
XLogP0.12
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dimethoxypyrimidin-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

2,4-Dimethoxy-5-[2-(methoxymethoxy)ethyl]pyrimidine
CID 57401299
5-Pyrimidineethanol, 2,4-dimethoxy-
CID 15450835
2-(2-Chloro-4-methoxypyrimidin-5-yl)ethanol
CID 57396090
2-(2-Methoxypyrimidin-5-yl)acetic acid
CID 55268291
diethyl (Z)-2-(2,4-dimethoxypyrimidin-5-yl)-3-prop-2-enylbut-2-enedioate
CID 134844749
2-[4-Methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 83824404
2-(2,4-Dimethoxypyrimidin-5-yl)-2,2-difluoroacetic acid
CID 84726880
5-Ethyl-2,4-dimethoxypyrimidine
CID 14135535
Methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate
CID 54047637
2-Chloro-2-(4-methoxy-2-methylpyrimidin-5-yl)propanoic acid
CID 54430550
2-(4-Methoxypyrimidin-5-yl)propanoic acid
CID 57907402
Methyl 2-(4-methoxypyrimidin-5-yl)propanoate
CID 57907415

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid (CID 55267501) is 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid is COc1ncc(CC(=O)O)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid?
The InChIKey is NMFYUGVGVKHQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-13-7-5(3-6(11)12)4-9-8(10-7)14-2/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid?
2-(2,4-dimethoxypyrimidin-5-yl)acetic acid has a molecular weight of 198.18 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxypyrimidin-5-yl)acetic acid is sourced from PubChem (CID 55267501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).