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

C11H14N2O3 — CID 165448964

IUPAC4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCCCO2)ncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-8(11(14)15)6-12-10(13-7)9-4-2-3-5-16-9/h6,9H,2-5H2,1H3,(H,14,15)
InChIKeyTZZJVSVXGMFZIG-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.72
Rot. Bonds2

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

4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 165448964) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid
PubChem CID165448964
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCCCO2)ncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-8(11(14)15)6-12-10(13-7)9-4-2-3-5-16-9/h6,9H,2-5H2,1H3,(H,14,15)
InChIKeyTZZJVSVXGMFZIG-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid (CID 165448964) is 4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid is Cc1nc(C2CCCCO2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is TZZJVSVXGMFZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-8(11(14)15)6-12-10(13-7)9-4-2-3-5-16-9/h6,9H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.72, 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-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 165448964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).