(3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol

C14H21FN4O — CID 72936823

IUPAC(3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@]1(C)O
InChIInChI=1S/C14H21FN4O/c1-10-8-19(9-14(10,2)20)13-16-7-11(15)12(17-13)18-5-3-4-6-18/h7,10,20H,3-6,8-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyBHOGASQIYKNLTG-YGRLFVJLSA-N
MW280.35 g/mol
LogP1.42
Rot. Bonds2

About (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol

(3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol (PubChem CID 72936823) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
PubChem CID72936823
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name(3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@]1(C)O
InChIInChI=1S/C14H21FN4O/c1-10-8-19(9-14(10,2)20)13-16-7-11(15)12(17-13)18-5-3-4-6-18/h7,10,20H,3-6,8-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyBHOGASQIYKNLTG-YGRLFVJLSA-N
XLogP1.42
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol with MolForge

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Related Compounds

2-[1-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
CID 50957693
2-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
CID 50962051
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
(3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 133344810
1-(5-Fluoro-6-pyrrolidin-1-ylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 117663691
5-fluoro-N,N-dimethyl-4-[(3R)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine
CID 117711080
5-fluoro-N-methyl-N-(3-methylbutyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 132240192
5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine
CID 134372143
1-[2-[Ethyl-(5-fluoropyrimidin-2-yl)amino]ethyl]pyrrolidin-3-ol
CID 141870801
7-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56908210
(3R*,4R*)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol
CID 70716015
((3R*,4R*)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}pyrrolidin-3-yl)methanol
CID 70768224

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol (CID 72936823) is (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol is C[C@@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@]1(C)O.
What is the InChIKey of (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is BHOGASQIYKNLTG-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-10-8-19(9-14(10,2)20)13-16-7-11(15)12(17-13)18-5-3-4-6-18/h7,10,20H,3-6,8-9H2,1-2H3/t10-,14+/m1/s1.
What are the key properties of (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
(3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol has a molecular weight of 280.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 72936823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).