2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid

C9H11N3O3 — CID 131107872

IUPAC2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CC(O)C2)n1
InChIInChI=1S/C9H11N3O3/c1-5-2-7(8(14)15)11-9(10-5)12-3-6(13)4-12/h2,6,13H,3-4H2,1H3,(H,14,15)
InChIKeyJRHREOUZHWXAIU-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.34
Rot. Bonds2

About 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid

2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 131107872) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
PubChem CID131107872
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CC(O)C2)n1
InChIInChI=1S/C9H11N3O3/c1-5-2-7(8(14)15)11-9(10-5)12-3-6(13)4-12/h2,6,13H,3-4H2,1H3,(H,14,15)
InChIKeyJRHREOUZHWXAIU-UHFFFAOYSA-N
XLogP-0.34
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-tert-butylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107554334
2-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 72890146
2-(2-ethyl-1,4-oxazepan-4-yl)-6-methylpyrimidine-4-carboxylic acid
CID 114218802
6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 107553845
6-methyl-2-(3-oxo-1,4-diazepan-1-yl)pyrimidine-4-carboxylic acid
CID 114219796
2-[3-[(2-tert-butylphenoxy)methyl]azetidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 170364036
2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107553733
4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid
CID 130656006
2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550744
2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107553797
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107553920
1-[6-hydroxy-4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 70713868

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid (CID 131107872) is 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(N2CC(O)C2)n1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is JRHREOUZHWXAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5-2-7(8(14)15)11-9(10-5)12-3-6(13)4-12/h2,6,13H,3-4H2,1H3,(H,14,15).
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid?
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 131107872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).