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

C18H14FN3O — CID 56777633

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H14FN3O/c1-22(10-12-6-8-13(19)9-7-12)18-17-16(20-11-21-18)14-4-2-3-5-15(14)23-17/h2-9,11H,10H2,1H3
InChIKeyFWBQCEQUDHSUAN-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.15
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 56777633) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID56777633
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H14FN3O/c1-22(10-12-6-8-13(19)9-7-12)18-17-16(20-11-21-18)14-4-2-3-5-15(14)23-17/h2-9,11H,10H2,1H3
InChIKeyFWBQCEQUDHSUAN-UHFFFAOYSA-N
XLogP4.15
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 56777633) is N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CN(Cc1ccc(F)cc1)c1ncnc2c1oc1ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is FWBQCEQUDHSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-22(10-12-6-8-13(19)9-7-12)18-17-16(20-11-21-18)14-4-2-3-5-15(14)23-17/h2-9,11H,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 307.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 56777633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).