N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane

C16H28FN3O5 — CID 144702976

IUPACN-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane
SMILESCC.CC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F.CCC
InChIInChI=1S/C11H14FN3O5.C3H8.C2H6/c1-4-7(17)8(18)10(20-4)15-3-6(12)9(13-5(2)16)14-11(15)19;1-3-2;1-2/h3-4,7-8,10,17-18H,1-2H3,(H,13,14,16,19);3H2,1-2H3;1-2H3
InChIKeyBDRPDMWLIHBTHP-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.42
Rot. Bonds2

About N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane

N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane (PubChem CID 144702976) has the molecular formula C16H28FN3O5 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane.

Molecular Properties

Compound NameN-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane
PubChem CID144702976
Molecular FormulaC16H28FN3O5
Molecular Weight361.41 g/mol
Exact Mass361.20
IUPAC NameN-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane
SMILESCC.CC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F.CCC
InChIInChI=1S/C11H14FN3O5.C3H8.C2H6/c1-4-7(17)8(18)10(20-4)15-3-6(12)9(13-5(2)16)14-11(15)19;1-3-2;1-2/h3-4,7-8,10,17-18H,1-2H3,(H,13,14,16,19);3H2,1-2H3;1-2H3
InChIKeyBDRPDMWLIHBTHP-UHFFFAOYSA-N
XLogP1.42
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
methyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 163729768
1,1,2,2,3,3,4,4-octadeuteriopentyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 154731300
pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 69347499
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-4-ethoxybenzamide
CID 54533827
2-propylpentyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 57268996
3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 71435392
1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one
CID 57073808
N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]pyridine-3-carboxamide
CID 57172039
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide
CID 54177062
1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 53394728
[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]amino] 3-methylbutanoate
CID 71488098

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane?
The IUPAC name of N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane (CID 144702976) is N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane.
What is the SMILES notation for N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane?
The canonical SMILES for N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane is CC.CC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F.CCC.
What is the InChIKey of N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane?
The InChIKey is BDRPDMWLIHBTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O5.C3H8.C2H6/c1-4-7(17)8(18)10(20-4)15-3-6(12)9(13-5(2)16)14-11(15)19;1-3-2;1-2/h3-4,7-8,10,17-18H,1-2H3,(H,13,14,16,19);3H2,1-2H3;1-2H3.
What are the key properties of N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane?
N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane has a molecular weight of 361.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane is sourced from PubChem (CID 144702976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).