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

C9H12N2O3 — CID 83879723

IUPAC2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
SMILESCC(C)Oc1ncc(CC(=O)O)cn1
InChIInChI=1S/C9H12N2O3/c1-6(2)14-9-10-4-7(5-11-9)3-8(12)13/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyVHGCIRJHCDSTBK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.89
Rot. Bonds4

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

2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid (PubChem CID 83879723) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
PubChem CID83879723
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
SMILESCC(C)Oc1ncc(CC(=O)O)cn1
InChIInChI=1S/C9H12N2O3/c1-6(2)14-9-10-4-7(5-11-9)3-8(12)13/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyVHGCIRJHCDSTBK-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-yloxy-3-pyridinyl)acetic acid
CID 84666013
2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde
CID 83875334
2-(2-propan-2-yloxypyrimidin-5-yl)ethanimidamide
CID 83878947
2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid
CID 84666078
2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83884926
2-(2-bromopyrimidin-5-yl)acetic acid
CID 119023982
(3S)-3-(4-fluorophenyl)-3-(2-propan-2-yloxypyrimidin-5-yl)propanoic acid
CID 126664331
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728
3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid
CID 14056318
1-(2-propan-2-yloxypyrimidin-4-yl)propan-2-one
CID 83878775
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130096522

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid (CID 83879723) is 2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid is CC(C)Oc1ncc(CC(=O)O)cn1.
What is the InChIKey of 2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid?
The InChIKey is VHGCIRJHCDSTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(2)14-9-10-4-7(5-11-9)3-8(12)13/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid?
2-(2-propan-2-yloxypyrimidin-5-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-(2-propan-2-yloxypyrimidin-5-yl)acetic acid is sourced from PubChem (CID 83879723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).