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

C15H16FN5O — CID 24737954

IUPAC9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(F)c23)C1
InChIInChI=1S/C15H16FN5O/c1-18-8-5-6-21(7-8)14-13-12(19-15(17)20-14)11-9(16)3-2-4-10(11)22-13/h2-4,8,18H,5-7H2,1H3,(H2,17,19,20)/t8-/m1/s1
InChIKeyFLTYGCULEQHVLN-MRVPVSSYSA-N
MW301.32 g/mol
LogP1.90
Rot. Bonds2

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

9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24737954) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24737954
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(F)c23)C1
InChIInChI=1S/C15H16FN5O/c1-18-8-5-6-21(7-8)14-13-12(19-15(17)20-14)11-9(16)3-2-4-10(11)22-13/h2-4,8,18H,5-7H2,1H3,(H2,17,19,20)/t8-/m1/s1
InChIKeyFLTYGCULEQHVLN-MRVPVSSYSA-N
XLogP1.90
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24737954) is 9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(F)c23)C1.
What is the InChIKey of 9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is FLTYGCULEQHVLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-18-8-5-6-21(7-8)14-13-12(19-15(17)20-14)11-9(16)3-2-4-10(11)22-13/h2-4,8,18H,5-7H2,1H3,(H2,17,19,20)/t8-/m1/s1.
What are the key properties of 9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 301.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24737954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).