2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C14H17FN4O2 — CID 171650640

IUPAC2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2nc(OC[C@@]34CCCN3C[C@H](F)C4)ncc21
InChIInChI=1S/C14H17FN4O2/c15-9-4-14(2-1-3-19(14)7-9)8-21-13-17-5-10-11(18-13)6-16-12(10)20/h5,9H,1-4,6-8H2,(H,16,20)/t9-,14+/m1/s1
InChIKeyNVSXYWXSIAUSSE-OTYXRUKQSA-N
MW292.31 g/mol
LogP0.68
Rot. Bonds3

About 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 171650640) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID171650640
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2nc(OC[C@@]34CCCN3C[C@H](F)C4)ncc21
InChIInChI=1S/C14H17FN4O2/c15-9-4-14(2-1-3-19(14)7-9)8-21-13-17-5-10-11(18-13)6-16-12(10)20/h5,9H,1-4,6-8H2,(H,16,20)/t9-,14+/m1/s1
InChIKeyNVSXYWXSIAUSSE-OTYXRUKQSA-N
XLogP0.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one with MolForge

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Related Compounds

2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1,4-oxazepan-4-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 171650738
tert-butyl 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-oxo-7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 171650964
2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-piperidin-1-yl-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 177203260
4-(azepan-1-yl)-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 177203333
4-(azepan-1-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 177203358
2-(methylamino)-6-[(1-morpholin-4-ylcyclohexyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52104781
2-(methylamino)-6-[[(2S)-oxolan-2-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52104800
2-(methylamino)-6-[[(2R)-oxolan-2-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52104801
2-amino-6-[(1-morpholin-4-ylcyclohexyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52104804
2-(dimethylamino)-6-[[(2S)-oxolan-2-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52232853
2-(dimethylamino)-6-[[(2R)-oxolan-2-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52232854
6-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52233295

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 171650640) is 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is O=C1NCc2nc(OC[C@@]34CCCN3C[C@H](F)C4)ncc21.
What is the InChIKey of 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is NVSXYWXSIAUSSE-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H17FN4O2/c15-9-4-14(2-1-3-19(14)7-9)8-21-13-17-5-10-11(18-13)6-16-12(10)20/h5,9H,1-4,6-8H2,(H,16,20)/t9-,14+/m1/s1.
What are the key properties of 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 292.31 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 171650640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).