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

C10H14N2O4 — CID 105483714

IUPAC4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid
SMILESCOc1ncc(CCCC(=O)O)c(OC)n1
InChIInChI=1S/C10H14N2O4/c1-15-9-7(4-3-5-8(13)14)6-11-10(12-9)16-2/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyVRADDMGGKOIFSV-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.90
Rot. Bonds6

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

4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid (PubChem CID 105483714) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid
PubChem CID105483714
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid
SMILESCOc1ncc(CCCC(=O)O)c(OC)n1
InChIInChI=1S/C10H14N2O4/c1-15-9-7(4-3-5-8(13)14)6-11-10(12-9)16-2/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyVRADDMGGKOIFSV-UHFFFAOYSA-N
XLogP0.90
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid
CID 82662650
3-(4-methoxypyrimidin-5-yl)propanoic acid
CID 82654769
4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid
CID 83893919
4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide
CID 91227637
3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid
CID 117225530
4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 167442924
(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate
CID 67791743
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoic acid
CID 688431
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
3-(3-carboxypropyl)-4,5-dimethoxybenzoic acid
CID 117424082
4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
CID 117383909

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid?
The IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid (CID 105483714) is 4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid.
What is the SMILES notation for 4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid?
The canonical SMILES for 4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid is COc1ncc(CCCC(=O)O)c(OC)n1.
What is the InChIKey of 4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid?
The InChIKey is VRADDMGGKOIFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-15-9-7(4-3-5-8(13)14)6-11-10(12-9)16-2/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid?
4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid is sourced from PubChem (CID 105483714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).