8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C15H14BrN3O3 — CID 135867926

IUPAC8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2c1oc1ccc(Br)cc12
InChIInChI=1S/C15H14BrN3O3/c16-9-1-2-11-10(7-9)13-14(22-11)15(20)18-12(17-13)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,17,18,20)
InChIKeyGEUCMAVRWRJDQC-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.26
Rot. Bonds2

About 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867926) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867926
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC Name8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2c1oc1ccc(Br)cc12
InChIInChI=1S/C15H14BrN3O3/c16-9-1-2-11-10(7-9)13-14(22-11)15(20)18-12(17-13)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,17,18,20)
InChIKeyGEUCMAVRWRJDQC-UHFFFAOYSA-N
XLogP2.26
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-aminopyrrolidin-1-yl)methyl]-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867924
8-chloro-2-[(4-methylpiperazin-1-yl)methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867984
8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135498125
8-chloro-2-[(3-hydroxypyrrolidin-1-yl)methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 143831045
8-bromo-2-(4-piperazin-1-ylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 141244100
8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831013
2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;dihydrochloride
CID 142704358
8-bromo-2-(4-methylpiperazine-1-carbonyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867943
6,8-dibromo-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135781280
8-bromo-2-(4-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867950
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135905225
8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867999

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867926) is 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]c(CN2CCOCC2)nc2c1oc1ccc(Br)cc12.
What is the InChIKey of 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is GEUCMAVRWRJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c16-9-1-2-11-10(7-9)13-14(22-11)15(20)18-12(17-13)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,17,18,20).
What are the key properties of 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 364.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).