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

C18H15N3O — CID 1414940

IUPAC2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-11-7-9-13(10-8-11)21-18-17-16(19-12(2)20-18)14-5-3-4-6-15(14)22-17/h3-10H,1-2H3,(H,19,20,21)
InChIKeyVSAZGGQQQWKUPI-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.74
Rot. Bonds2

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

2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 1414940) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID1414940
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-11-7-9-13(10-8-11)21-18-17-16(19-12(2)20-18)14-5-3-4-6-15(14)22-17/h3-10H,1-2H3,(H,19,20,21)
InChIKeyVSAZGGQQQWKUPI-UHFFFAOYSA-N
XLogP4.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine 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-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 1414940) is 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is VSAZGGQQQWKUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-7-9-13(10-8-11)21-18-17-16(19-12(2)20-18)14-5-3-4-6-15(14)22-17/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 1414940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).