4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid

C11H14N2O3 — CID 82392231

IUPAC4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
SMILESCOc1nc(C)nc(C2CCC2)c1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-6-12-9(7-4-3-5-7)8(11(14)15)10(13-6)16-2/h7H,3-5H2,1-2H3,(H,14,15)
InChIKeyZXRNPVBDNURGHU-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.76
Rot. Bonds3

About 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid

4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid (PubChem CID 82392231) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
PubChem CID82392231
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
SMILESCOc1nc(C)nc(C2CCC2)c1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-6-12-9(7-4-3-5-7)8(11(14)15)10(13-6)16-2/h7H,3-5H2,1-2H3,(H,14,15)
InChIKeyZXRNPVBDNURGHU-UHFFFAOYSA-N
XLogP1.76
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid (CID 82392231) is 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid is COc1nc(C)nc(C2CCC2)c1C(=O)O.
What is the InChIKey of 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is ZXRNPVBDNURGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6-12-9(7-4-3-5-7)8(11(14)15)10(13-6)16-2/h7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid?
4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82392231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).