8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H19F2N5O — CID 25195513

IUPAC8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c4c(oc23)CCC(F)(F)C4)C1
InChIInChI=1S/C15H19F2N5O/c1-19-8-3-5-22(7-8)13-12-11(20-14(18)21-13)9-6-15(16,17)4-2-10(9)23-12/h8,19H,2-7H2,1H3,(H2,18,20,21)/t8-/m1/s1
InChIKeyZVWYXIAPZOKPRI-MRVPVSSYSA-N
MW323.35 g/mol
LogP1.73
Rot. Bonds2

About 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine

8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 25195513) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID25195513
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c4c(oc23)CCC(F)(F)C4)C1
InChIInChI=1S/C15H19F2N5O/c1-19-8-3-5-22(7-8)13-12-11(20-14(18)21-13)9-6-15(16,17)4-2-10(9)23-12/h8,19H,2-7H2,1H3,(H2,18,20,21)/t8-/m1/s1
InChIKeyZVWYXIAPZOKPRI-MRVPVSSYSA-N
XLogP1.73
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride
CID 68922662
8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 76538136
4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 138109302
8,9-dichloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 74326567
6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738266
4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 42603142
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
4-[(3S)-3-aminopyrrolidin-1-yl]-8,8-difluoro-7,9-dihydro-6H-[1]benzothiolo[3,2-d]pyrimidin-2-amine;hydrochloride
CID 68922871
8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 25225472
8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 67950680
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-[1]benzothiolo[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67772064
5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;dihydrate
CID 129073743

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 25195513) is 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine is CN[C@@H]1CCN(c2nc(N)nc3c4c(oc23)CCC(F)(F)C4)C1.
What is the InChIKey of 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is ZVWYXIAPZOKPRI-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c1-19-8-3-5-22(7-8)13-12-11(20-14(18)21-13)9-6-15(16,17)4-2-10(9)23-12/h8,19H,2-7H2,1H3,(H2,18,20,21)/t8-/m1/s1.
What are the key properties of 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 323.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 25195513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).