propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate

C16H26FN3O4 — CID 142440987

IUPACpropyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate
SMILESCCCOC(=O)Nc1nc(=O)n([C@H](CC)OCC(C)CC)cc1F
InChIInChI=1S/C16H26FN3O4/c1-5-8-23-16(22)19-14-12(17)9-20(15(21)18-14)13(7-3)24-10-11(4)6-2/h9,11,13H,5-8,10H2,1-4H3,(H,18,19,21,22)/t11?,13-/m0/s1
InChIKeyUIDXSDIZUSJSFA-YUZLPWPTSA-N
MW343.40 g/mol
LogP3.31
Rot. Bonds9

About propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate

propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate (PubChem CID 142440987) has the molecular formula C16H26FN3O4 and a molecular weight of 343.40 g/mol. Its IUPAC name is propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namepropyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate
PubChem CID142440987
Molecular FormulaC16H26FN3O4
Molecular Weight343.40 g/mol
Exact Mass343.19
IUPAC Namepropyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate
SMILESCCCOC(=O)Nc1nc(=O)n([C@H](CC)OCC(C)CC)cc1F
InChIInChI=1S/C16H26FN3O4/c1-5-8-23-16(22)19-14-12(17)9-20(15(21)18-14)13(7-3)24-10-11(4)6-2/h9,11,13H,5-8,10H2,1-4H3,(H,18,19,21,22)/t11?,13-/m0/s1
InChIKeyUIDXSDIZUSJSFA-YUZLPWPTSA-N
XLogP3.31
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-(cyclopropylmethyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate
CID 58166422
2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 58166431
3-methylbutyl N-[5-fluoro-1-[(2R,5R)-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 70987214
2-methylbutyl N-[5-fluoro-1-[(2R,5R)-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 70987218
pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 90925582
pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 118391654
pentyl N-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamate
CID 170597258
butyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate
CID 142440976
ethyl N-[5-fluoro-1-[(2S)-2-(2-methylbutoxy)butyl]-2-oxopyrimidin-4-yl]carbamate
CID 142440981
butyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate;methanol
CID 142440975
ethyl N-[5-fluoro-1-[(2S)-2-(2-methylbutoxy)butyl]-2-oxopyrimidin-4-yl]carbamate;methanol
CID 142440980
ethane;methanol;propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate
CID 142440986

Frequently Asked Questions

What is the IUPAC name of propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate (CID 142440987) is propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate is CCCOC(=O)Nc1nc(=O)n([C@H](CC)OCC(C)CC)cc1F.
What is the InChIKey of propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is UIDXSDIZUSJSFA-YUZLPWPTSA-N. The full InChI is InChI=1S/C16H26FN3O4/c1-5-8-23-16(22)19-14-12(17)9-20(15(21)18-14)13(7-3)24-10-11(4)6-2/h9,11,13H,5-8,10H2,1-4H3,(H,18,19,21,22)/t11?,13-/m0/s1.
What are the key properties of propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate?
propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 343.40 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 142440987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).