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

C19H18ClN3O2 — CID 24747356

IUPAC2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(Nc2ccccc2OC)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C19H17N3O2.ClH/c1-3-16-21-17-12-8-4-6-10-14(12)24-18(17)19(22-16)20-13-9-5-7-11-15(13)23-2;/h4-11H,3H2,1-2H3,(H,20,21,22);1H
InChIKeyBDZBRUXKRVYAOD-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.11
Rot. Bonds4

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

2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 24747356) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID24747356
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(Nc2ccccc2OC)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C19H17N3O2.ClH/c1-3-16-21-17-12-8-4-6-10-14(12)24-18(17)19(22-16)20-13-9-5-7-11-15(13)23-2;/h4-11H,3H2,1-2H3,(H,20,21,22);1H
InChIKeyBDZBRUXKRVYAOD-UHFFFAOYSA-N
XLogP5.11
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 24747356) is 2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCc1nc(Nc2ccccc2OC)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is BDZBRUXKRVYAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.ClH/c1-3-16-21-17-12-8-4-6-10-14(12)24-18(17)19(22-16)20-13-9-5-7-11-15(13)23-2;/h4-11H,3H2,1-2H3,(H,20,21,22);1H.
What are the key properties of 2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 355.83 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 24747356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).