8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H15F2N5O — CID 76538136

IUPAC8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCNC1CCN(c2nc(N)nc3c2oc2ccc(F)c(F)c23)C1
InChIInChI=1S/C15H15F2N5O/c1-19-7-4-5-22(6-7)14-13-12(20-15(18)21-14)10-9(23-13)3-2-8(16)11(10)17/h2-3,7,19H,4-6H2,1H3,(H2,18,20,21)
InChIKeyGDUJEDROAKFGPN-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.03
Rot. Bonds2

About 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 76538136) has the molecular formula C15H15F2N5O and a molecular weight of 319.32 g/mol. Its IUPAC name is 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID76538136
Molecular FormulaC15H15F2N5O
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCNC1CCN(c2nc(N)nc3c2oc2ccc(F)c(F)c23)C1
InChIInChI=1S/C15H15F2N5O/c1-19-7-4-5-22(6-7)14-13-12(20-15(18)21-14)10-9(23-13)3-2-8(16)11(10)17/h2-3,7,19H,4-6H2,1H3,(H2,18,20,21)
InChIKeyGDUJEDROAKFGPN-UHFFFAOYSA-N
XLogP2.03
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8,9-dichloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 74326567
8,9-dichloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67429283
6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738266
8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 25195513
8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738896
(3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 141272690
[(3S)-1-(2-amino-8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl] N-methylcarbamate
CID 69153381
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
4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile
CID 46885181
8-bromo-4-[(3S)-3-methylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24946004
8-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67430625
4-[3-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67431405

Frequently Asked Questions

What is the IUPAC name of 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 76538136) is 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is CNC1CCN(c2nc(N)nc3c2oc2ccc(F)c(F)c23)C1.
What is the InChIKey of 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is GDUJEDROAKFGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O/c1-19-7-4-5-22(6-7)14-13-12(20-15(18)21-14)10-9(23-13)3-2-8(16)11(10)17/h2-3,7,19H,4-6H2,1H3,(H2,18,20,21).
What are the key properties of 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 319.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 76538136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).