(3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine

C17H26FN5O — CID 133129772

IUPAC(3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@H]1C1CC1
InChIInChI=1S/C17H26FN5O/c1-21(2)15-11-23(10-13(15)12-3-4-12)17-19-9-14(18)16(20-17)22-5-7-24-8-6-22/h9,12-13,15H,3-8,10-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyXHWGQTHUZCXPAR-DZGCQCFKSA-N
MW335.43 g/mol
LogP1.23
Rot. Bonds4

About (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine

(3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 133129772) has the molecular formula C17H26FN5O and a molecular weight of 335.43 g/mol. Its IUPAC name is (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID133129772
Molecular FormulaC17H26FN5O
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name(3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@H]1C1CC1
InChIInChI=1S/C17H26FN5O/c1-21(2)15-11-23(10-13(15)12-3-4-12)17-19-9-14(18)16(20-17)22-5-7-24-8-6-22/h9,12-13,15H,3-8,10-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyXHWGQTHUZCXPAR-DZGCQCFKSA-N
XLogP1.23
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 50962192
[(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70768224
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382783
(3S,8aS)-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137344177
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 135087867
[6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride
CID 154897411
(3S,4S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164689559
(3aR,7aR)-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137336353
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952
7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 157019825

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine (CID 133129772) is (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@H]1C1CC1.
What is the InChIKey of (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is XHWGQTHUZCXPAR-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H26FN5O/c1-21(2)15-11-23(10-13(15)12-3-4-12)17-19-9-14(18)16(20-17)22-5-7-24-8-6-22/h9,12-13,15H,3-8,10-11H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine?
(3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 335.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 133129772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).