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

C17H13N3O — CID 1398093

IUPACN-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-17-16-15(18-10-19-17)13-4-2-3-5-14(13)21-16/h2-10H,1H3,(H,18,19,20)
InChIKeyCAZVRVVZXFTMFC-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.43
Rot. Bonds2

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

N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 1398093) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID1398093
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC NameN-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-17-16-15(18-10-19-17)13-4-2-3-5-14(13)21-16/h2-10H,1H3,(H,18,19,20)
InChIKeyCAZVRVVZXFTMFC-UHFFFAOYSA-N
XLogP4.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 1398093) is N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1ccc(Nc2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is CAZVRVVZXFTMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-17-16-15(18-10-19-17)13-4-2-3-5-14(13)21-16/h2-10H,1H3,(H,18,19,20).
What are the key properties of N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 1398093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).