N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C16H11N3O — CID 621402

IUPACN-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Nc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-16)12-8-4-5-9-13(12)20-15/h1-10H,(H,17,18,19)
InChIKeyZHRNTKWRQQFMNF-UHFFFAOYSA-N
MW261.28 g/mol
LogP4.12
Rot. Bonds2

About N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 621402) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID621402
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC NameN-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Nc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-16)12-8-4-5-9-13(12)20-15/h1-10H,(H,17,18,19)
InChIKeyZHRNTKWRQQFMNF-UHFFFAOYSA-N
XLogP4.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 621402) is N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1ccc(Nc2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is ZHRNTKWRQQFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-16)12-8-4-5-9-13(12)20-15/h1-10H,(H,17,18,19).
What are the key properties of N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 261.28 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 621402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).