N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide

C17H26FN5O2 — CID 70741640

IUPACN-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@H]1NC(C)=O
InChIInChI=1S/C17H26FN5O2/c1-3-4-13-10-23(11-15(13)20-12(2)24)17-19-9-14(18)16(21-17)22-5-7-25-8-6-22/h9,13,15H,3-8,10-11H2,1-2H3,(H,20,24)/t13-,15-/m1/s1
InChIKeyBKTFRHAKQDOSES-UKRRQHHQSA-N
MW351.43 g/mol
LogP1.19
Rot. Bonds5

About N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 70741640) has the molecular formula C17H26FN5O2 and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide
PubChem CID70741640
Molecular FormulaC17H26FN5O2
Molecular Weight351.43 g/mol
Exact Mass351.21
IUPAC NameN-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@H]1NC(C)=O
InChIInChI=1S/C17H26FN5O2/c1-3-4-13-10-23(11-15(13)20-12(2)24)17-19-9-14(18)16(21-17)22-5-7-25-8-6-22/h9,13,15H,3-8,10-11H2,1-2H3,(H,20,24)/t13-,15-/m1/s1
InChIKeyBKTFRHAKQDOSES-UKRRQHHQSA-N
XLogP1.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

N~4~-cyclopentyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165784
N-[rel-(3R,4S)-4-isopropyl-1-(4-morpholinylacetyl)-3-pyrrolidinyl]-2-methyl-4-pyrimidinamine dihydrochloride
CID 72849948
8-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493741
1-[(2S,3aR,7aS)-2-[(dimethylamino)methyl]-5-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 98777348
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194
2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118739200
(S)-4-isopropyl-3-(2-((S)-1-(piperidin-4-yl)ethylamino)pyrimidin-4-yl)oxazolidin-2-one
CID 86730270
1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
trans-N-(4-((5-fluoro-4-morpholinopyrimidin-2-yl)amino)cyclohexyl)acetamide
CID 172592025
N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165617
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 53165752
N-isopropyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165757

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide (CID 70741640) is N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is BKTFRHAKQDOSES-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H26FN5O2/c1-3-4-13-10-23(11-15(13)20-12(2)24)17-19-9-14(18)16(21-17)22-5-7-25-8-6-22/h9,13,15H,3-8,10-11H2,1-2H3,(H,20,24)/t13-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).