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

C9H12N2O3 — CID 83879728

IUPAC2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
SMILESCC(C)Oc1cc(CC(=O)O)ncn1
InChIInChI=1S/C9H12N2O3/c1-6(2)14-8-3-7(4-9(12)13)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyUGHFNAZKYZMBKR-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.89
Rot. Bonds4

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

2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid (PubChem CID 83879728) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
PubChem CID83879728
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
SMILESCC(C)Oc1cc(CC(=O)O)ncn1
InChIInChI=1S/C9H12N2O3/c1-6(2)14-8-3-7(4-9(12)13)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyUGHFNAZKYZMBKR-UHFFFAOYSA-N
XLogP0.89
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66331801
2-(6-propan-2-yloxypyrimidin-4-yl)acetonitrile
CID 66331626
2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid
CID 104572083
2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820289
2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
CID 116820301
2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820304
2-[(6-propan-2-yloxypyrimidin-4-yl)-prop-2-enylamino]acetic acid
CID 79263368
7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
CID 66333424
2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid
CID 116820314
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013

Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid (CID 83879728) is 2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid is CC(C)Oc1cc(CC(=O)O)ncn1.
What is the InChIKey of 2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid?
The InChIKey is UGHFNAZKYZMBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(2)14-8-3-7(4-9(12)13)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid?
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.89, 4 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)acetic acid is sourced from PubChem (CID 83879728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).