2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine

C16H11N3O2 — CID 22586514

IUPAC2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(Oc2cccnc2)c2oc3ccccc3c2n1
InChIInChI=1S/C16H11N3O2/c1-10-18-14-12-6-2-3-7-13(12)21-15(14)16(19-10)20-11-5-4-8-17-9-11/h2-9H,1H3
InChIKeyATWCNRNKEAKXMJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.87
Rot. Bonds2

About 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine

2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 22586514) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine
PubChem CID22586514
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(Oc2cccnc2)c2oc3ccccc3c2n1
InChIInChI=1S/C16H11N3O2/c1-10-18-14-12-6-2-3-7-13(12)21-15(14)16(19-10)20-11-5-4-8-17-9-11/h2-9H,1H3
InChIKeyATWCNRNKEAKXMJ-UHFFFAOYSA-N
XLogP3.87
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine 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 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine (CID 22586514) is 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine is Cc1nc(Oc2cccnc2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ATWCNRNKEAKXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-10-18-14-12-6-2-3-7-13(12)21-15(14)16(19-10)20-11-5-4-8-17-9-11/h2-9H,1H3.
What are the key properties of 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine?
2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 277.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 22586514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).