4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane

C12H18FN3O5 — CID 143827349

IUPAC4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane
SMILESCC.COC(C)[C@H]1OC(=O)O[C@H]1n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H12FN3O5.C2H6/c1-4(17-2)6-8(19-10(16)18-6)14-3-5(11)7(12)13-9(14)15;1-2/h3-4,6,8H,1-2H3,(H2,12,13,15);1-2H3/t4?,6-,8-;/m1./s1
InChIKeyQEZKFIHGQTVEMS-RXUFFSFBSA-N
MW303.29 g/mol
LogP1.06
Rot. Bonds3

About 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane

4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane (PubChem CID 143827349) has the molecular formula C12H18FN3O5 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane
PubChem CID143827349
Molecular FormulaC12H18FN3O5
Molecular Weight303.29 g/mol
Exact Mass303.12
IUPAC Name4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane
SMILESCC.COC(C)[C@H]1OC(=O)O[C@H]1n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H12FN3O5.C2H6/c1-4(17-2)6-8(19-10(16)18-6)14-3-5(11)7(12)13-9(14)15;1-2/h3-4,6,8H,1-2H3,(H2,12,13,15);1-2H3/t4?,6-,8-;/m1./s1
InChIKeyQEZKFIHGQTVEMS-RXUFFSFBSA-N
XLogP1.06
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 143827350
4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 143839204
4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
CID 143702965
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 157197209
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
[(2R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
CID 58434493
4-amino-5-fluoro-1-[(2R,4S,5R)-2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 11776614
4-amino-1-[(4R,6R,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoropyrimidin-2-one
CID 57370088
1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-amino-5-fluoro(213C,1,3-15N2)pyrimidin-2-one
CID 163285121
4-amino-1-[(2R,3S,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 170388493
4-amino-5-fluoro-1-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 69266686
4-amino-5-fluoro-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 23317943

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane?
The IUPAC name of 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane (CID 143827349) is 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane.
What is the SMILES notation for 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane?
The canonical SMILES for 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane is CC.COC(C)[C@H]1OC(=O)O[C@H]1n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane?
The InChIKey is QEZKFIHGQTVEMS-RXUFFSFBSA-N. The full InChI is InChI=1S/C10H12FN3O5.C2H6/c1-4(17-2)6-8(19-10(16)18-6)14-3-5(11)7(12)13-9(14)15;1-2/h3-4,6,8H,1-2H3,(H2,12,13,15);1-2H3/t4?,6-,8-;/m1./s1.
What are the key properties of 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane?
4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane has a molecular weight of 303.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(4R,5R)-5-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane is sourced from PubChem (CID 143827349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).