2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid

C11H16N2O3 — CID 104572083

IUPAC2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(OC(C)C)ncn1
InChIInChI=1S/C11H16N2O3/c1-4-8(11(14)15)9-5-10(13-6-12-9)16-7(2)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyCQIXBVCSFJEAEF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.84
Rot. Bonds5

About 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid

2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid (PubChem CID 104572083) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid
PubChem CID104572083
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(OC(C)C)ncn1
InChIInChI=1S/C11H16N2O3/c1-4-8(11(14)15)9-5-10(13-6-12-9)16-7(2)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyCQIXBVCSFJEAEF-UHFFFAOYSA-N
XLogP1.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid
CID 66333429
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728
N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
CID 66332240
2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66331801
2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid
CID 83880025
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
2-(6-methylpyrimidin-4-yl)oxypropanoic acid
CID 82407957
2-(6-methoxypyrimidin-4-yl)pentan-3-one
CID 66319706
2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
CID 102658023
5-methoxy-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 81078957
7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
CID 66333424

Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid?
The IUPAC name of 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid (CID 104572083) is 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid.
What is the SMILES notation for 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid?
The canonical SMILES for 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid is CCC(C(=O)O)c1cc(OC(C)C)ncn1.
What is the InChIKey of 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid?
The InChIKey is CQIXBVCSFJEAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-8(11(14)15)9-5-10(13-6-12-9)16-7(2)3/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid?
2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 104572083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).