4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid

C14H15N3O3 — CID 107209008

IUPAC4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid
SMILESCCc1cc(Nc2ccc(C(=O)O)c(OC)c2)ncn1
InChIInChI=1S/C14H15N3O3/c1-3-9-7-13(16-8-15-9)17-10-4-5-11(14(18)19)12(6-10)20-2/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyRJCAKCUMBMDKIG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.49
Rot. Bonds5

About 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid

4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid (PubChem CID 107209008) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid
PubChem CID107209008
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid
SMILESCCc1cc(Nc2ccc(C(=O)O)c(OC)c2)ncn1
InChIInChI=1S/C14H15N3O3/c1-3-9-7-13(16-8-15-9)17-10-4-5-11(14(18)19)12(6-10)20-2/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyRJCAKCUMBMDKIG-UHFFFAOYSA-N
XLogP2.49
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid (CID 107209008) is 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid is CCc1cc(Nc2ccc(C(=O)O)c(OC)c2)ncn1.
What is the InChIKey of 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid?
The InChIKey is RJCAKCUMBMDKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-9-7-13(16-8-15-9)17-10-4-5-11(14(18)19)12(6-10)20-2/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid?
4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107209008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).