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

C14H21FN4O2 — CID 72851467

IUPAC(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@]1(C)O
InChIInChI=1S/C14H21FN4O2/c1-10-8-19(9-14(10,2)20)13-16-7-11(15)12(17-13)18-3-5-21-6-4-18/h7,10,20H,3-6,8-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyOLGIJGUVWQEDLY-YGRLFVJLSA-N
MW296.35 g/mol
LogP0.66
Rot. Bonds2

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

(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol (PubChem CID 72851467) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
PubChem CID72851467
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@]1(C)O
InChIInChI=1S/C14H21FN4O2/c1-10-8-19(9-14(10,2)20)13-16-7-11(15)12(17-13)18-3-5-21-6-4-18/h7,10,20H,3-6,8-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyOLGIJGUVWQEDLY-YGRLFVJLSA-N
XLogP0.66
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)morpholine
CID 16414213
[(3R*,4R*)-1-(5-methoxy-2-pyrimidinyl)-4-(4-morpholinylmethyl)-3-pyrrolidinyl]methanol
CID 72939610
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methylbutyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510735
5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3147873
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
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
(3S*,4S*)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-isopropoxypyrrolidin-3-ol
CID 50983764
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
trans-4-Ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
CID 91780076
(4aS,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methylbutyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 125184477
[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 129491157

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol (CID 72851467) is (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol is C[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@]1(C)O.
What is the InChIKey of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is OLGIJGUVWQEDLY-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-10-8-19(9-14(10,2)20)13-16-7-11(15)12(17-13)18-3-5-21-6-4-18/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-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol has a molecular weight of 296.35 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 72851467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).