2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine

C14H17N3O — CID 14995947

IUPAC2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine
SMILESCCCOc1cc(-c2ccccn2)nc(CC)n1
InChIInChI=1S/C14H17N3O/c1-3-9-18-14-10-12(16-13(4-2)17-14)11-7-5-6-8-15-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyZZGRMGUSYNMYJA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.89
Rot. Bonds5

About 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine

2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine (PubChem CID 14995947) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine
PubChem CID14995947
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine
SMILESCCCOc1cc(-c2ccccn2)nc(CC)n1
InChIInChI=1S/C14H17N3O/c1-3-9-18-14-10-12(16-13(4-2)17-14)11-7-5-6-8-15-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyZZGRMGUSYNMYJA-UHFFFAOYSA-N
XLogP2.89
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine?
The IUPAC name of 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine (CID 14995947) is 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine.
What is the SMILES notation for 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine?
The canonical SMILES for 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine is CCCOc1cc(-c2ccccn2)nc(CC)n1.
What is the InChIKey of 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine?
The InChIKey is ZZGRMGUSYNMYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-9-18-14-10-12(16-13(4-2)17-14)11-7-5-6-8-15-11/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine?
2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine has a molecular weight of 243.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propoxy-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 14995947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).