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

C17H20ClN3O2 — CID 6602804

IUPAC2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NCC2CCCO2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H19N3O2.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;/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20);1H
InChIKeyQORWDZLABPQPMD-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.95
Rot. Bonds4

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

2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6602804) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6602804
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NCC2CCCO2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H19N3O2.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;/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20);1H
InChIKeyQORWDZLABPQPMD-UHFFFAOYSA-N
XLogP3.95
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 664426
N-[[(2R)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2067836
2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4671621
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 3604273
N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546532
cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
CID 4916684
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6603427
2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine
CID 4919819
1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156552
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6602804) is 2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCc1nc(NCC2CCCO2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is QORWDZLABPQPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.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;/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20);1H.
What are the key properties of 2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 333.82 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6602804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).