4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid

C11H14N2O3 — CID 65334243

IUPAC4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCOCC2)ncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-9(11(14)15)6-12-10(13-7)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyZZQHHXLPKNJWJV-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.38
Rot. Bonds2

About 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid (PubChem CID 65334243) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid
PubChem CID65334243
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCOCC2)ncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-9(11(14)15)6-12-10(13-7)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyZZQHHXLPKNJWJV-UHFFFAOYSA-N
XLogP1.38
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid (CID 65334243) is 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid is Cc1nc(C2CCOCC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid?
The InChIKey is ZZQHHXLPKNJWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-9(11(14)15)6-12-10(13-7)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65334243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).