4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid

C9H11N3O3 — CID 175473269

IUPAC4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid
SMILESNC1CCC1Oc1ncncc1C(=O)O
InChIInChI=1S/C9H11N3O3/c10-6-1-2-7(6)15-8-5(9(13)14)3-11-4-12-8/h3-4,6-7H,1-2,10H2,(H,13,14)
InChIKeyNHBVSEIMJTZVAJ-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.04
Rot. Bonds3

About 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid

4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid (PubChem CID 175473269) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid
PubChem CID175473269
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid
SMILESNC1CCC1Oc1ncncc1C(=O)O
InChIInChI=1S/C9H11N3O3/c10-6-1-2-7(6)15-8-5(9(13)14)3-11-4-12-8/h3-4,6-7H,1-2,10H2,(H,13,14)
InChIKeyNHBVSEIMJTZVAJ-UHFFFAOYSA-N
XLogP0.04
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxycyclohexyl)oxypyrimidine-5-carboxylic acid
CID 114213915
4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 102973559
4-(3-tricyclo[3.2.1.02,4]octanylamino)pyrimidine-5-carboxylic acid
CID 114214807
4-(hydroxyamino)pyrimidine-5-carboxylic acid
CID 127018723
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 114213997
4-(cyclohexylsulfonylmethyl)pyrimidine-5-carboxylic acid
CID 102974092
4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid
CID 130484563
2-(2-aminocyclopentyl)oxybenzoic acid
CID 117053950
acetic acid;[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(4-propylpyrimidin-5-yl)methanone
CID 154907027
4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103245311
4-[2-(4-methylpiperazin-1-yl)phenoxy]pyrimidine-5-carboxylic acid
CID 175237939

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid (CID 175473269) is 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid is NC1CCC1Oc1ncncc1C(=O)O.
What is the InChIKey of 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid?
The InChIKey is NHBVSEIMJTZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-6-1-2-7(6)15-8-5(9(13)14)3-11-4-12-8/h3-4,6-7H,1-2,10H2,(H,13,14).
What are the key properties of 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid?
4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclobutyl)oxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 175473269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).