1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid

C12H15N3O2 — CID 122064509

IUPAC1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)O)C2)nc(C2CC2)n1
InChIInChI=1S/C12H15N3O2/c1-7-4-10(14-11(13-7)8-2-3-8)15-5-9(6-15)12(16)17/h4,8-9H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyWLEKJEAUZLSDRZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.18
Rot. Bonds3

About 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid

1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid (PubChem CID 122064509) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
PubChem CID122064509
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)O)C2)nc(C2CC2)n1
InChIInChI=1S/C12H15N3O2/c1-7-4-10(14-11(13-7)8-2-3-8)15-5-9(6-15)12(16)17/h4,8-9H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyWLEKJEAUZLSDRZ-UHFFFAOYSA-N
XLogP1.18
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
CID 171328002
N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
CID 166603155
1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid
CID 95825399
[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358156
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166606133
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348936
[(3S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 100663734
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine
CID 126901358
5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163354705
1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549353
(2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide
CID 120928900
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 171334935

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid (CID 122064509) is 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid is Cc1cc(N2CC(C(=O)O)C2)nc(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid?
The InChIKey is WLEKJEAUZLSDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-4-10(14-11(13-7)8-2-3-8)15-5-9(6-15)12(16)17/h4,8-9H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid?
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 122064509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).