6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid

C15H14N2O3 — CID 107554634

IUPAC6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid
SMILESC/C=C/c1ccccc1Oc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C15H14N2O3/c1-3-6-11-7-4-5-8-13(11)20-15-16-10(2)9-12(17-15)14(18)19/h3-9H,1-2H3,(H,18,19)/b6-3+
InChIKeyRYFBZHARBHNDIZ-ZZXKWVIFSA-N
MW270.29 g/mol
LogP3.31
Rot. Bonds4

About 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid

6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid (PubChem CID 107554634) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid
PubChem CID107554634
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid
SMILESC/C=C/c1ccccc1Oc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C15H14N2O3/c1-3-6-11-7-4-5-8-13(11)20-15-16-10(2)9-12(17-15)14(18)19/h3-9H,1-2H3,(H,18,19)/b6-3+
InChIKeyRYFBZHARBHNDIZ-ZZXKWVIFSA-N
XLogP3.31
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid (CID 107554634) is 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid is C/C=C/c1ccccc1Oc1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid?
The InChIKey is RYFBZHARBHNDIZ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-3-6-11-7-4-5-8-13(11)20-15-16-10(2)9-12(17-15)14(18)19/h3-9H,1-2H3,(H,18,19)/b6-3+.
What are the key properties of 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid?
6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).