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

C18H23ClN4O2 — CID 6603544

IUPAC2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-2-15-20-16-13-5-3-4-6-14(13)24-17(16)18(21-15)19-7-8-22-9-11-23-12-10-22;/h3-6H,2,7-12H2,1H3,(H,19,20,21);1H
InChIKeyATNGWKABDOGKAY-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.10
Rot. Bonds5

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

2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6603544) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6603544
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-2-15-20-16-13-5-3-4-6-14(13)24-17(16)18(21-15)19-7-8-22-9-11-23-12-10-22;/h3-6H,2,7-12H2,1H3,(H,19,20,21);1H
InChIKeyATNGWKABDOGKAY-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6603544) is 2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is ATNGWKABDOGKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-2-15-20-16-13-5-3-4-6-14(13)24-17(16)18(21-15)19-7-8-22-9-11-23-12-10-22;/h3-6H,2,7-12H2,1H3,(H,19,20,21);1H.
What are the key properties of 2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6603544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).