N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C16H12N4O — CID 2330337

IUPACN-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2oc2ccccc23)nc1
InChIInChI=1S/C16H12N4O/c1-2-7-13-12(6-1)14-15(21-13)16(20-10-19-14)18-9-11-5-3-4-8-17-11/h1-8,10H,9H2,(H,18,19,20)
InChIKeyARQCGXLVWFVTMX-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.38
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 2330337) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID2330337
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC NameN-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2oc2ccccc23)nc1
InChIInChI=1S/C16H12N4O/c1-2-7-13-12(6-1)14-15(21-13)16(20-10-19-14)18-9-11-5-3-4-8-17-11/h1-8,10H,9H2,(H,18,19,20)
InChIKeyARQCGXLVWFVTMX-UHFFFAOYSA-N
XLogP3.38
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 2330337) is N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1ccc(CNc2ncnc3c2oc2ccccc23)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is ARQCGXLVWFVTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-7-13-12(6-1)14-15(21-13)16(20-10-19-14)18-9-11-5-3-4-8-17-11/h1-8,10H,9H2,(H,18,19,20).
What are the key properties of N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 276.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2330337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).