N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide

C17H26FN3O4 — CID 153399309

IUPACN-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](C)O2)cc1F
InChIInChI=1S/C17H26FN3O4/c1-4-6-11(7-5-2)16(23)19-15-12(18)9-21(17(24)20-15)14-8-13(22)10(3)25-14/h9-11,13-14,22H,4-8H2,1-3H3,(H,19,20,23,24)/t10-,13+,14-/m1/s1
InChIKeyKTRNKWJIYUKSMP-DDTOSNHZSA-N
MW355.41 g/mol
LogP2.21
Rot. Bonds7

About N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide

N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide (PubChem CID 153399309) has the molecular formula C17H26FN3O4 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
PubChem CID153399309
Molecular FormulaC17H26FN3O4
Molecular Weight355.41 g/mol
Exact Mass355.19
IUPAC NameN-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](C)O2)cc1F
InChIInChI=1S/C17H26FN3O4/c1-4-6-11(7-5-2)16(23)19-15-12(18)9-21(17(24)20-15)14-8-13(22)10(3)25-14/h9-11,13-14,22H,4-8H2,1-3H3,(H,19,20,23,24)/t10-,13+,14-/m1/s1
InChIKeyKTRNKWJIYUKSMP-DDTOSNHZSA-N
XLogP2.21
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide
CID 57296527
pentyl N-[5-fluoro-1-(5-formyl-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
CID 91014527
pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 69347499
2-propylpentyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 57268996
N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane
CID 144702976
1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one
CID 57073808
5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one
CID 174063487
ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate
CID 11001492
3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 71435392
methyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 163729768
4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10193746
[5-fluoro-1-(6-methyl-7-oxo-5-oxaspiro[2.4]heptan-4-yl)-2-oxopyrimidin-4-yl]carbamic acid
CID 91556166

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide?
The IUPAC name of N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide (CID 153399309) is N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide.
What is the SMILES notation for N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide?
The canonical SMILES for N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](C)O2)cc1F.
What is the InChIKey of N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide?
The InChIKey is KTRNKWJIYUKSMP-DDTOSNHZSA-N. The full InChI is InChI=1S/C17H26FN3O4/c1-4-6-11(7-5-2)16(23)19-15-12(18)9-21(17(24)20-15)14-8-13(22)10(3)25-14/h9-11,13-14,22H,4-8H2,1-3H3,(H,19,20,23,24)/t10-,13+,14-/m1/s1.
What are the key properties of N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide?
N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide has a molecular weight of 355.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide is sourced from PubChem (CID 153399309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).