4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid

C13H17N3O3 — CID 67087192

IUPAC4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCOC2)nc1C1CCC1
InChIInChI=1S/C13H17N3O3/c17-12(18)10-6-14-13(15-9-4-5-19-7-9)16-11(10)8-2-1-3-8/h6,8-9H,1-5,7H2,(H,17,18)(H,14,15,16)
InChIKeyGIWDZTIEIGFDEV-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.64
Rot. Bonds4

About 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid

4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 67087192) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid
PubChem CID67087192
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCOC2)nc1C1CCC1
InChIInChI=1S/C13H17N3O3/c17-12(18)10-6-14-13(15-9-4-5-19-7-9)16-11(10)8-2-1-3-8/h6,8-9H,1-5,7H2,(H,17,18)(H,14,15,16)
InChIKeyGIWDZTIEIGFDEV-UHFFFAOYSA-N
XLogP1.64
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid (CID 67087192) is 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(NC2CCOC2)nc1C1CCC1.
What is the InChIKey of 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is GIWDZTIEIGFDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(18)10-6-14-13(15-9-4-5-19-7-9)16-11(10)8-2-1-3-8/h6,8-9H,1-5,7H2,(H,17,18)(H,14,15,16).
What are the key properties of 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid?
4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 67087192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).