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

C18H15N3O2 — CID 2068417

IUPACN-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C18H15N3O2/c1-11-19-16-14-5-3-4-6-15(14)23-17(16)18(20-11)21-12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyZGQCLLUPNYNBQX-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.44
Rot. Bonds3

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

N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 2068417) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID2068417
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C18H15N3O2/c1-11-19-16-14-5-3-4-6-15(14)23-17(16)18(20-11)21-12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyZGQCLLUPNYNBQX-UHFFFAOYSA-N
XLogP4.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 2068417) is N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is COc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is ZGQCLLUPNYNBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-19-16-14-5-3-4-6-15(14)23-17(16)18(20-11)21-12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2068417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).