3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid

C10H14N2O2 — CID 155822370

IUPAC3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)c1ccncn1
InChIInChI=1S/C10H14N2O2/c1-10(2,3)8(9(13)14)7-4-5-11-6-12-7/h4-6,8H,1-3H3,(H,13,14)
InChIKeyHPSYHBKAEKSESC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.69
Rot. Bonds2

About 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid

3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid (PubChem CID 155822370) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid
PubChem CID155822370
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)c1ccncn1
InChIInChI=1S/C10H14N2O2/c1-10(2,3)8(9(13)14)7-4-5-11-6-12-7/h4-6,8H,1-3H3,(H,13,14)
InChIKeyHPSYHBKAEKSESC-UHFFFAOYSA-N
XLogP1.69
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-2-pyrimidin-4-ylbutanoic 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

Methyl 2-(2-chloropyrimidin-4-yl)acetate
CID 83814915
Sodium 2-methyl-2-(pyrimidin-4-yl)propanoate
CID 137704115
2-(4-Ethyl-2-methoxypyrimidin-5-yl)acetic acid
CID 82657594
Lithium(1+) 2-(pyrimidin-4-yl)propanoate
CID 165941279
(Pyrimidin-4-yl)acetic acid
CID 21486925
(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid
CID 57010106
2-(Pyrimidin-4-yl)propanoic acid
CID 82417173
2-(5-Fluoropyrimidin-4-yl)propanoic acid
CID 67382628
Ethyl 2-(5-fluoropyrimidin-4-yl)propanoate
CID 67382654
2-Ethyl-2-(2-ethyl-5-fluoropyrimidin-4-yl)propanedioic acid
CID 67382767
2-(5-Fluoropyrimidin-4-yl)propanedioic acid
CID 71205448
2-Methyl-2-(pyrimidin-4-yl)propanoic acid
CID 82414356

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid?
The IUPAC name of 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid (CID 155822370) is 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid?
The canonical SMILES for 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid is CC(C)(C)C(C(=O)O)c1ccncn1.
What is the InChIKey of 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid?
The InChIKey is HPSYHBKAEKSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,3)8(9(13)14)7-4-5-11-6-12-7/h4-6,8H,1-3H3,(H,13,14).
What are the key properties of 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid?
3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-pyrimidin-4-ylbutanoic acid is sourced from PubChem (CID 155822370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).