4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline

C17H16N4O — CID 67295395

IUPAC4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline
SMILESCCOc1cnc(-c2ccc(N)cc2)nc1-c1ccncc1
InChIInChI=1S/C17H16N4O/c1-2-22-15-11-20-17(13-3-5-14(18)6-4-13)21-16(15)12-7-9-19-10-8-12/h3-11H,2,18H2,1H3
InChIKeyPFFQDVQTSZSLOX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.19
Rot. Bonds4

About 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline

4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline (PubChem CID 67295395) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline.

Molecular Properties

Compound Name4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline
PubChem CID67295395
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline
SMILESCCOc1cnc(-c2ccc(N)cc2)nc1-c1ccncc1
InChIInChI=1S/C17H16N4O/c1-2-22-15-11-20-17(13-3-5-14(18)6-4-13)21-16(15)12-7-9-19-10-8-12/h3-11H,2,18H2,1H3
InChIKeyPFFQDVQTSZSLOX-UHFFFAOYSA-N
XLogP3.19
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline?
The IUPAC name of 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline (CID 67295395) is 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline.
What is the SMILES notation for 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline?
The canonical SMILES for 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline is CCOc1cnc(-c2ccc(N)cc2)nc1-c1ccncc1.
What is the InChIKey of 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline?
The InChIKey is PFFQDVQTSZSLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-22-15-11-20-17(13-3-5-14(18)6-4-13)21-16(15)12-7-9-19-10-8-12/h3-11H,2,18H2,1H3.
What are the key properties of 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline?
4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline has a molecular weight of 292.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-4-pyridin-4-ylpyrimidin-2-yl)aniline is sourced from PubChem (CID 67295395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).