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

C17H21ClN4O2 — CID 6603370

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-12-19-15-13-4-2-3-5-14(13)23-16(15)17(20-12)18-6-7-21-8-10-22-11-9-21;/h2-5H,6-11H2,1H3,(H,18,19,20);1H
InChIKeyWLZGGZBXJSHYMB-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.85
Rot. Bonds4

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

2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6603370) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6603370
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-12-19-15-13-4-2-3-5-14(13)23-16(15)17(20-12)18-6-7-21-8-10-22-11-9-21;/h2-5H,6-11H2,1H3,(H,18,19,20);1H
InChIKeyWLZGGZBXJSHYMB-UHFFFAOYSA-N
XLogP2.85
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6603370) is 2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is Cc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is WLZGGZBXJSHYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c1-12-19-15-13-4-2-3-5-14(13)23-16(15)17(20-12)18-6-7-21-8-10-22-11-9-21;/h2-5H,6-11H2,1H3,(H,18,19,20);1H.
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6603370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).