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

C17H16ClN3O2 — CID 6602802

IUPAC2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NCc2ccco2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H15N3O2.ClH/c1-2-14-19-15-12-7-3-4-8-13(12)22-16(15)17(20-14)18-10-11-6-5-9-21-11;/h3-9H,2,10H2,1H3,(H,18,19,20);1H
InChIKeyCIPPQYBYKDSOQP-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.57
Rot. Bonds4

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

2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6602802) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6602802
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NCc2ccco2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H15N3O2.ClH/c1-2-14-19-15-12-7-3-4-8-13(12)22-16(15)17(20-14)18-10-11-6-5-9-21-11;/h3-9H,2,10H2,1H3,(H,18,19,20);1H
InChIKeyCIPPQYBYKDSOQP-UHFFFAOYSA-N
XLogP4.57
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6602802) is 2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCc1nc(NCc2ccco2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is CIPPQYBYKDSOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2.ClH/c1-2-14-19-15-12-7-3-4-8-13(12)22-16(15)17(20-14)18-10-11-6-5-9-21-11;/h3-9H,2,10H2,1H3,(H,18,19,20);1H.
What are the key properties of 2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 329.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(furan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6602802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).