2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

C18H23ClN4O2 — CID 6602794

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc(NCCCN2CCOCC2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-13-20-16-14-5-2-3-6-15(14)24-17(16)18(21-13)19-7-4-8-22-9-11-23-12-10-22;/h2-3,5-6H,4,7-12H2,1H3,(H,19,20,21);1H
InChIKeyLWEVXCJKFIAPRG-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.24
Rot. Bonds5

About 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6602794) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6602794
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc(NCCCN2CCOCC2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-13-20-16-14-5-2-3-6-15(14)24-17(16)18(21-13)19-7-4-8-22-9-11-23-12-10-22;/h2-3,5-6H,4,7-12H2,1H3,(H,19,20,21);1H
InChIKeyLWEVXCJKFIAPRG-UHFFFAOYSA-N
XLogP3.24
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6602794) is 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is Cc1nc(NCCCN2CCOCC2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is LWEVXCJKFIAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-13-20-16-14-5-2-3-6-15(14)24-17(16)18(21-13)19-7-4-8-22-9-11-23-12-10-22;/h2-3,5-6H,4,7-12H2,1H3,(H,19,20,21);1H.
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6602794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).