2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid

C10H14N2O3 — CID 83884926

IUPAC2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
SMILESCc1ncc(CC(=O)O)c(OC(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)15-10-8(4-9(13)14)5-11-7(3)12-10/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyDYBQBVRQPWHANW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.20
Rot. Bonds4

About 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid

2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid (PubChem CID 83884926) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
PubChem CID83884926
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
SMILESCc1ncc(CC(=O)O)c(OC(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)15-10-8(4-9(13)14)5-11-7(3)12-10/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyDYBQBVRQPWHANW-UHFFFAOYSA-N
XLogP1.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83892143
2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone
CID 83875345
2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
CID 83884924
(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
CID 26792673
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82264574
2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
CID 82267526
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940
N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide
CID 176873389

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid (CID 83884926) is 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid is Cc1ncc(CC(=O)O)c(OC(C)C)n1.
What is the InChIKey of 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid?
The InChIKey is DYBQBVRQPWHANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)15-10-8(4-9(13)14)5-11-7(3)12-10/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid?
2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid is sourced from PubChem (CID 83884926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).