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

C17H13N3O2 — CID 1399583

IUPACN-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C17H13N3O2/c1-21-12-8-6-11(7-9-12)20-17-16-15(18-10-19-17)13-4-2-3-5-14(13)22-16/h2-10H,1H3,(H,18,19,20)
InChIKeyYMSASVFSRVQNHS-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.13
Rot. Bonds3

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

N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 1399583) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID1399583
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C17H13N3O2/c1-21-12-8-6-11(7-9-12)20-17-16-15(18-10-19-17)13-4-2-3-5-14(13)22-16/h2-10H,1H3,(H,18,19,20)
InChIKeyYMSASVFSRVQNHS-UHFFFAOYSA-N
XLogP4.13
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-[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 N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 1399583) is N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is YMSASVFSRVQNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-21-12-8-6-11(7-9-12)20-17-16-15(18-10-19-17)13-4-2-3-5-14(13)22-16/h2-10H,1H3,(H,18,19,20).
What are the key properties of N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 291.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 1399583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).