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

C14H21FN4O — CID 133123745

IUPAC(3S,4S)-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+/m0/s1
InChIKeyBHOGASQIYKNLTG-IINYFYTJSA-N
MW280.35 g/mol
LogP1.42
Rot. Bonds2

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

(3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol (PubChem CID 133123745) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is (3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
PubChem CID133123745
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name(3S,4S)-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+/m0/s1
InChIKeyBHOGASQIYKNLTG-IINYFYTJSA-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 (3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 95554820
(3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
CID 72895263
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
1-[(1S,5S,6R,7R)-3-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]-N,N-dimethylmethanamine
CID 154817787
(3R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97132058
5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 56883380
9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138808960
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 50962192
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
[2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72918907
[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80910776
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol (CID 133123745) is (3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-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 (3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is BHOGASQIYKNLTG-IINYFYTJSA-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+/m0/s1.
What are the key properties of (3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
(3S,4S)-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 (3S,4S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 133123745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).