2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid

C10H14N2O3 — CID 83884952

IUPAC2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid
SMILESCC(C)(C)c1ncc(O)c(CC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)9-11-5-7(13)6(12-9)4-8(14)15/h5,13H,4H2,1-3H3,(H,14,15)
InChIKeyRTGHLDIROFJPTQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.11
Rot. Bonds2

About 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid

2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid (PubChem CID 83884952) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid
PubChem CID83884952
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid
SMILESCC(C)(C)c1ncc(O)c(CC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)9-11-5-7(13)6(12-9)4-8(14)15/h5,13H,4H2,1-3H3,(H,14,15)
InChIKeyRTGHLDIROFJPTQ-UHFFFAOYSA-N
XLogP1.11
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-tert-butyl-5-hydroxypyrimidin-4-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

1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one
CID 167657259
3-(2-tert-butylpyrimidin-5-yl)propanoic acid
CID 82395371
2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131472859
1-(2-tert-butyl-4-methylpyrimidin-5-yl)ethanone
CID 62771539
(2S)-2-(2-tert-butyl-4-fluoropyrimidin-5-yl)-3-methylbutanoic acid
CID 70419799
(2-tert-butyl-4-chloropyrimidin-5-yl)methanamine
CID 83852101
(2S)-2-(2-tert-butylpyrimidin-5-yl)-3-methylbutanoic acid
CID 70419075
2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 84798200
2-(6-tert-butyl-3-pyridinyl)acetic acid
CID 58436565
2-tert-butyl-4-chloropyrimidine-5-carboxylic acid;methyl 2-tert-butyl-4-chloropyrimidine-5-carboxylate
CID 167586917
2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134659981
2-(5-tert-butyl-2,3-dihydroxyphenyl)acetic acid
CID 117321860

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid (CID 83884952) is 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid is CC(C)(C)c1ncc(O)c(CC(=O)O)n1.
What is the InChIKey of 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid?
The InChIKey is RTGHLDIROFJPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)9-11-5-7(13)6(12-9)4-8(14)15/h5,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid?
2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83884952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).