4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H15N5O — CID 53476352

IUPAC4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CC3CC2CN3)c2oc3ccccc3c2n1
InChIInChI=1S/C15H15N5O/c16-15-18-12-10-3-1-2-4-11(10)21-13(12)14(19-15)20-7-8-5-9(20)6-17-8/h1-4,8-9,17H,5-7H2,(H2,16,18,19)
InChIKeyZHJXZLVRJAMDTF-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.51
Rot. Bonds1

About 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 53476352) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID53476352
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CC3CC2CN3)c2oc3ccccc3c2n1
InChIInChI=1S/C15H15N5O/c16-15-18-12-10-3-1-2-4-11(10)21-13(12)14(19-15)20-7-8-5-9(20)6-17-8/h1-4,8-9,17H,5-7H2,(H2,16,18,19)
InChIKeyZHJXZLVRJAMDTF-UHFFFAOYSA-N
XLogP1.51
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine with MolForge

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Related Compounds

4-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane
CID 158952679
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-8,9-difluoro-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67428861
2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol
CID 58023038
8-bromo-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-amine;hydrochloride
CID 67431484
8-chloro-4-[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane
CID 160815149
8-chloro-4-[(4R)-1,3-diazabicyclo[2.2.1]heptan-3-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 67456350
[1]benzofuro[3,2-b]quinolin-11-amine
CID 143056669
8-chloro-4-(2,5-diazabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 59830140
2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 178002712
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-bromo-4-[(3S)-3-methylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24946004
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 2005114

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 53476352) is 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1nc(N2CC3CC2CN3)c2oc3ccccc3c2n1.
What is the InChIKey of 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is ZHJXZLVRJAMDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-15-18-12-10-3-1-2-4-11(10)21-13(12)14(19-15)20-7-8-5-9(20)6-17-8/h1-4,8-9,17H,5-7H2,(H2,16,18,19).
What are the key properties of 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 281.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 53476352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).