2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol

C14H15N3O2 — CID 3604273

IUPAC2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
SMILESCCc1nc(NCCO)c2oc3ccccc3c2n1
InChIInChI=1S/C14H15N3O2/c1-2-11-16-12-9-5-3-4-6-10(9)19-13(12)14(17-11)15-7-8-18/h3-6,18H,2,7-8H2,1H3,(H,15,16,17)
InChIKeyIWGCFXZYXMXJEP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol

2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 3604273) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
PubChem CID3604273
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
SMILESCCc1nc(NCCO)c2oc3ccccc3c2n1
InChIInChI=1S/C14H15N3O2/c1-2-11-16-12-9-5-3-4-6-10(9)19-13(12)14(17-11)15-7-8-18/h3-6,18H,2,7-8H2,1H3,(H,15,16,17)
InChIKeyIWGCFXZYXMXJEP-UHFFFAOYSA-N
XLogP2.34
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol with MolForge

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Related Compounds

2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4671621
2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 2024503
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol;hydrochloride
CID 24761132
N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546532
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 664426
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6602804
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
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
N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1401178
4-(2,6-dimethylmorpholin-4-ium-4-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine
CID 4872156

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol (CID 3604273) is 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol is CCc1nc(NCCO)c2oc3ccccc3c2n1.
What is the InChIKey of 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is IWGCFXZYXMXJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-11-16-12-9-5-3-4-6-10(9)19-13(12)14(17-11)15-7-8-18/h3-6,18H,2,7-8H2,1H3,(H,15,16,17).
What are the key properties of 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol?
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 257.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 3604273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).