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

C17H12FN3O — CID 2068835

IUPACN-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(F)c2)c2oc3ccccc3c2n1
InChIInChI=1S/C17H12FN3O/c1-10-19-15-13-7-2-3-8-14(13)22-16(15)17(20-10)21-12-6-4-5-11(18)9-12/h2-9H,1H3,(H,19,20,21)
InChIKeyKBQAOLDWIQRORM-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.57
Rot. Bonds2

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

N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 2068835) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID2068835
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC NameN-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(F)c2)c2oc3ccccc3c2n1
InChIInChI=1S/C17H12FN3O/c1-10-19-15-13-7-2-3-8-14(13)22-16(15)17(20-10)21-12-6-4-5-11(18)9-12/h2-9H,1H3,(H,19,20,21)
InChIKeyKBQAOLDWIQRORM-UHFFFAOYSA-N
XLogP4.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 2068835) is N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1nc(Nc2cccc(F)c2)c2oc3ccccc3c2n1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is KBQAOLDWIQRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-10-19-15-13-7-2-3-8-14(13)22-16(15)17(20-10)21-12-6-4-5-11(18)9-12/h2-9H,1H3,(H,19,20,21).
What are the key properties of N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 293.30 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2068835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).