(3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol

C10H15FN4O — CID 132407662

IUPAC(3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol
SMILESCN(C)C1=NC(=CN=C1)N2C[C@H]([C@@H](C2)F)O
InChIInChI=1S/C10H15FN4O/c1-14(2)9-3-12-4-10(13-9)15-5-7(11)8(16)6-15/h3-4,7-8,16H,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyWMXKTUOIBDGGQO-HTQZYQBOSA-N
MW226.25 g/mol
LogP0.30
Rot. Bonds2

About (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol

(3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol (PubChem CID 132407662) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol
PubChem CID132407662
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name(3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol
SMILESCN(C)C1=NC(=CN=C1)N2C[C@H]([C@@H](C2)F)O
InChIInChI=1S/C10H15FN4O/c1-14(2)9-3-12-4-10(13-9)15-5-7(11)8(16)6-15/h3-4,7-8,16H,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyWMXKTUOIBDGGQO-HTQZYQBOSA-N
XLogP0.30
TPSA52.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity241

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323670
(2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
CID 99778607
1-[2-Ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 72143919
(2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 95766594
(2R)-1-[(2S)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 95766595
(2S)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 98767340
(2S)-1-[(2S)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 98767341
1,1,1-Trifluoro-3-[[6-(methylamino)pyrazin-2-yl]amino]propan-2-ol
CID 105649678
3-[[6-(Ethylamino)pyrazin-2-yl]amino]-1,1-difluoropropan-2-ol
CID 105649824
1,1-Difluoro-3-[[6-(propylamino)pyrazin-2-yl]amino]propan-2-ol
CID 105649825
1,1-Difluoro-3-[[6-(methylamino)pyrazin-2-yl]amino]propan-2-ol
CID 105649884
1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-2-ol
CID 111489336

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol (CID 132407662) is (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol is CN(C)C1=NC(=CN=C1)N2C[C@H]([C@@H](C2)F)O.
What is the InChIKey of (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol?
The InChIKey is WMXKTUOIBDGGQO-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-14(2)9-3-12-4-10(13-9)15-5-7(11)8(16)6-15/h3-4,7-8,16H,5-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol has a molecular weight of 226.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 132407662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).