N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C19H17N3O4 — CID 31054972

IUPACN-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3c2oc2ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4/c1-23-14-8-11(9-15(24-2)17(14)25-3)22-19-18-16(20-10-21-19)12-6-4-5-7-13(12)26-18/h4-10H,1-3H3,(H,20,21,22)
InChIKeyJNQABVPHBBPURE-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.15
Rot. Bonds5

About N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 31054972) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID31054972
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3c2oc2ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4/c1-23-14-8-11(9-15(24-2)17(14)25-3)22-19-18-16(20-10-21-19)12-6-4-5-7-13(12)26-18/h4-10H,1-3H3,(H,20,21,22)
InChIKeyJNQABVPHBBPURE-UHFFFAOYSA-N
XLogP4.15
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 31054972) is N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3c2oc2ccccc23)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is JNQABVPHBBPURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-23-14-8-11(9-15(24-2)17(14)25-3)22-19-18-16(20-10-21-19)12-6-4-5-7-13(12)26-18/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 351.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 31054972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).