8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine

C10H5BrClN3O — CID 24947065

IUPAC8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2oc3ccc(Br)cc3c2n1
InChIInChI=1S/C10H5BrClN3O/c11-4-1-2-6-5(3-4)7-8(16-6)9(12)15-10(13)14-7/h1-3H,(H2,13,14,15)
InChIKeyURWLWVMJBBCBMX-UHFFFAOYSA-N
MW298.53 g/mol
LogP3.37
Rot. Bonds

About 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine

8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24947065) has the molecular formula C10H5BrClN3O and a molecular weight of 298.53 g/mol. Its IUPAC name is 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24947065
Molecular FormulaC10H5BrClN3O
Molecular Weight298.53 g/mol
Exact Mass296.93
IUPAC Name8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2oc3ccc(Br)cc3c2n1
InChIInChI=1S/C10H5BrClN3O/c11-4-1-2-6-5(3-4)7-8(16-6)9(12)15-10(13)14-7/h1-3H,(H2,13,14,15)
InChIKeyURWLWVMJBBCBMX-UHFFFAOYSA-N
XLogP3.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2-(4-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867950
8-bromo-4-[(3S)-3-methylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24946004
8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135498125
8-bromo-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135566645
8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867997
2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;dihydrochloride
CID 142704358
2-(4-amino-2-methylphenyl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135868000
8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831013
8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride
CID 24946753
8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867999
8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 70988518
8-chloro-4-[(4R)-1,3-diazabicyclo[2.2.1]heptan-3-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 67456350

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24947065) is 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1nc(Cl)c2oc3ccc(Br)cc3c2n1.
What is the InChIKey of 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is URWLWVMJBBCBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O/c11-4-1-2-6-5(3-4)7-8(16-6)9(12)15-10(13)14-7/h1-3H,(H2,13,14,15).
What are the key properties of 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 298.53 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24947065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).