ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane

C34H44F2N6O6S2 — CID 158918721

IUPACethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane
SMILESC1CCOC1.CC.O=C(Nc1nc(=O)n(CC2CCCO2)cc1F)c1cccs1.O=c1nc(NCc2cccs2)c(F)cn1CC1CCCO1
InChIInChI=1S/C14H14FN3O3S.C14H16FN3O2S.C4H8O.C2H6/c15-10-8-18(7-9-3-1-5-21-9)14(20)17-12(10)16-13(19)11-4-2-6-22-11;15-12-9-18(8-10-3-1-5-20-10)14(19)17-13(12)16-7-11-4-2-6-21-11;1-2-4-5-3-1;1-2/h2,4,6,8-9H,1,3,5,7H2,(H,16,17,19,20);2,4,6,9-10H,1,3,5,7-8H2,(H,16,17,19);1-4H2;1-2H3
InChIKeyJHOHRSOGUCJSJL-UHFFFAOYSA-N
MW734.89 g/mol
LogP5.93
Rot. Bonds9

About ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane

ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane (PubChem CID 158918721) has the molecular formula C34H44F2N6O6S2 and a molecular weight of 734.89 g/mol. Its IUPAC name is ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane.

Molecular Properties

Compound Nameethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane
PubChem CID158918721
Molecular FormulaC34H44F2N6O6S2
Molecular Weight734.89 g/mol
Exact Mass734.27
IUPAC Nameethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane
SMILESC1CCOC1.CC.O=C(Nc1nc(=O)n(CC2CCCO2)cc1F)c1cccs1.O=c1nc(NCc2cccs2)c(F)cn1CC1CCCO1
InChIInChI=1S/C14H14FN3O3S.C14H16FN3O2S.C4H8O.C2H6/c15-10-8-18(7-9-3-1-5-21-9)14(20)17-12(10)16-13(19)11-4-2-6-22-11;15-12-9-18(8-10-3-1-5-20-10)14(19)17-13(12)16-7-11-4-2-6-21-11;1-2-4-5-3-1;1-2/h2,4,6,8-9H,1,3,5,7H2,(H,16,17,19,20);2,4,6,9-10H,1,3,5,7-8H2,(H,16,17,19);1-4H2;1-2H3
InChIKeyJHOHRSOGUCJSJL-UHFFFAOYSA-N
XLogP5.93
TPSA138.60 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500734.89
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane with MolForge

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Related Compounds

4-amino-5-fluoro-1-(oxolan-2-ylmethyl)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;thiophene-2-carboxylic acid
CID 159693548
N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide
CID 58166502
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
(2S)-2-(4-tert-butylphenyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 7008892
N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31400597
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
methyl 4-[(2S)-4-hydroxy-5-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate
CID 40928412
(2R)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 980850
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
2-[[5-oxo-4-[[(2S)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 92519169

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane?
The IUPAC name of ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane (CID 158918721) is ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane.
What is the SMILES notation for ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane?
The canonical SMILES for ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane is C1CCOC1.CC.O=C(Nc1nc(=O)n(CC2CCCO2)cc1F)c1cccs1.O=c1nc(NCc2cccs2)c(F)cn1CC1CCCO1.
What is the InChIKey of ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane?
The InChIKey is JHOHRSOGUCJSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S.C14H16FN3O2S.C4H8O.C2H6/c15-10-8-18(7-9-3-1-5-21-9)14(20)17-12(10)16-13(19)11-4-2-6-22-11;15-12-9-18(8-10-3-1-5-20-10)14(19)17-13(12)16-7-11-4-2-6-21-11;1-2-4-5-3-1;1-2/h2,4,6,8-9H,1,3,5,7H2,(H,16,17,19,20);2,4,6,9-10H,1,3,5,7-8H2,(H,16,17,19);1-4H2;1-2H3.
What are the key properties of ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane?
ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane has a molecular weight of 734.89 g/mol, XLogP of 5.93, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-1-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;oxolane is sourced from PubChem (CID 158918721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).