6-amino-5-cyclobutylpyrimidine-4-carboxylic acid

C9H11N3O2 — CID 84664616

IUPAC6-amino-5-cyclobutylpyrimidine-4-carboxylic acid
SMILESNc1ncnc(C(=O)O)c1C1CCC1
InChIInChI=1S/C9H11N3O2/c10-8-6(5-2-1-3-5)7(9(13)14)11-4-12-8/h4-5H,1-3H2,(H,13,14)(H2,10,11,12)
InChIKeyHDFLULVSIYBZJW-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.02
Rot. Bonds2

About 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid

6-amino-5-cyclobutylpyrimidine-4-carboxylic acid (PubChem CID 84664616) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-cyclobutylpyrimidine-4-carboxylic acid
PubChem CID84664616
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name6-amino-5-cyclobutylpyrimidine-4-carboxylic acid
SMILESNc1ncnc(C(=O)O)c1C1CCC1
InChIInChI=1S/C9H11N3O2/c10-8-6(5-2-1-3-5)7(9(13)14)11-4-12-8/h4-5H,1-3H2,(H,13,14)(H2,10,11,12)
InChIKeyHDFLULVSIYBZJW-UHFFFAOYSA-N
XLogP1.02
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Cyclohexylpyrimidine-4-carboxylic acid
CID 83820048
6-Cyclopropylpyrimidine-4-carboxylic acid
CID 82414980
1-[2,4-Bis(phenylmethoxy)phenyl]-2-methoxyethanone
CID 187837
5,6,7,8-Tetrahydroquinazoline-4-carboxylic acid
CID 82410140
6-Butyl-5-(methylaminomethyl)pyrimidine-4-carboxylic acid
CID 163661550
6-Tert-butyl-5-fluoropyrimidine-4-carboxylic acid
CID 164829686
5-(1-Hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 174710627
2,6-Diamino-5-propylpyrimidine-4-carboxylic acid
CID 290733
5-Fluoro-6-propylpyrimidine-4-carboxylic acid
CID 168016912
5-Fluoro-6-(propan-2-yl)pyrimidine-4-carboxylic acid
CID 168016922
6-Butyl-5-fluoropyrimidine-4-carboxylic acid
CID 168016964
6-Cyclopropyl-5-fluoropyrimidine-4-carboxylic acid
CID 168017018

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid (CID 84664616) is 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid is Nc1ncnc(C(=O)O)c1C1CCC1.
What is the InChIKey of 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid?
The InChIKey is HDFLULVSIYBZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8-6(5-2-1-3-5)7(9(13)14)11-4-12-8/h4-5H,1-3H2,(H,13,14)(H2,10,11,12).
What are the key properties of 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid?
6-amino-5-cyclobutylpyrimidine-4-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-cyclobutylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 84664616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).