6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid

C22H19N3O3 — CID 58775254

IUPAC6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid
SMILESCCc1c(C)nc(-c2ccoc2)nc1Nc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C22H19N3O3/c1-3-19-13(2)23-20(17-8-9-28-12-17)25-21(19)24-18-7-6-14-10-16(22(26)27)5-4-15(14)11-18/h4-12H,3H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyBUSNMBODYHIDPZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.20
Rot. Bonds5

About 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid

6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid (PubChem CID 58775254) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid
PubChem CID58775254
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid
SMILESCCc1c(C)nc(-c2ccoc2)nc1Nc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C22H19N3O3/c1-3-19-13(2)23-20(17-8-9-28-12-17)25-21(19)24-18-7-6-14-10-16(22(26)27)5-4-15(14)11-18/h4-12H,3H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyBUSNMBODYHIDPZ-UHFFFAOYSA-N
XLogP5.20
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid (CID 58775254) is 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid is CCc1c(C)nc(-c2ccoc2)nc1Nc1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid?
The InChIKey is BUSNMBODYHIDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-3-19-13(2)23-20(17-8-9-28-12-17)25-21(19)24-18-7-6-14-10-16(22(26)27)5-4-15(14)11-18/h4-12H,3H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid?
6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-yl]amino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 58775254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).