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

C18H16N4O — CID 2414617

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(CCc1ccccn1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H16N4O/c1-22(11-9-13-6-4-5-10-19-13)18-17-16(20-12-21-18)14-7-2-3-8-15(14)23-17/h2-8,10,12H,9,11H2,1H3
InChIKeyLPLBQHWSJSBYPI-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.45
Rot. Bonds4

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

N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 2414617) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID2414617
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(CCc1ccccn1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H16N4O/c1-22(11-9-13-6-4-5-10-19-13)18-17-16(20-12-21-18)14-7-2-3-8-15(14)23-17/h2-8,10,12H,9,11H2,1H3
InChIKeyLPLBQHWSJSBYPI-UHFFFAOYSA-N
XLogP3.45
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 2414617) is N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is CN(CCc1ccccn1)c1ncnc2c1oc1ccccc12.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is LPLBQHWSJSBYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-22(11-9-13-6-4-5-10-19-13)18-17-16(20-12-21-18)14-7-2-3-8-15(14)23-17/h2-8,10,12H,9,11H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 304.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2414617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).