4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one

C12H18FN3O5 — CID 143839204

IUPAC4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESCOC(CO)[C@H]1OC(C)(C)O[C@H]1n1cc(F)c(N)nc1=O
InChIInChI=1S/C12H18FN3O5/c1-12(2)20-8(7(5-17)19-3)10(21-12)16-4-6(13)9(14)15-11(16)18/h4,7-8,10,17H,5H2,1-3H3,(H2,14,15,18)/t7?,8-,10-/m1/s1
InChIKeyLCWGGDMJFLLAPP-JDOFKEMOSA-N
MW303.29 g/mol
LogP-0.38
Rot. Bonds4

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

4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one (PubChem CID 143839204) 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-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
PubChem CID143839204
Molecular FormulaC12H18FN3O5
Molecular Weight303.29 g/mol
Exact Mass303.12
IUPAC Name4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESCOC(CO)[C@H]1OC(C)(C)O[C@H]1n1cc(F)c(N)nc1=O
InChIInChI=1S/C12H18FN3O5/c1-12(2)20-8(7(5-17)19-3)10(21-12)16-4-6(13)9(14)15-11(16)18/h4,7-8,10,17H,5H2,1-3H3,(H2,14,15,18)/t7?,8-,10-/m1/s1
InChIKeyLCWGGDMJFLLAPP-JDOFKEMOSA-N
XLogP-0.38
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 146237726
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-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-(1-methoxyethyl)-2-oxo-1,3-dioxolan-4-yl]pyrimidin-2-one;ethane
CID 143827349
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,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
4-amino-5-fluoro-1-[(2R,4S,5R)-2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 11776614
1-[(3aS,6S,6aR)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-4-amino-5-fluoropyrimidin-2-one
CID 11089514
4-amino-5-fluoro-1-[(2R,3S,4R,5S)-3-fluoro-5-(fluoromethyl)-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 170387838
4-amino-5-fluoro-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one;cyclopropane
CID 169190517
(2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide
CID 169068486

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
The IUPAC name of 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) is 4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one is COC(CO)[C@H]1OC(C)(C)O[C@H]1n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
The InChIKey is LCWGGDMJFLLAPP-JDOFKEMOSA-N. The full InChI is InChI=1S/C12H18FN3O5/c1-12(2)20-8(7(5-17)19-3)10(21-12)16-4-6(13)9(14)15-11(16)18/h4,7-8,10,17H,5H2,1-3H3,(H2,14,15,18)/t7?,8-,10-/m1/s1.
What are the key properties of 4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one has a molecular weight of 303.29 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 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-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one is sourced from PubChem (CID 143839204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).