4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C10H13F2N3O4 — CID 126586873

IUPAC4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CO)C(C(F)F)[C@H]2O)c(=O)n1
InChIInChI=1S/C10H13F2N3O4/c11-8(12)6-4(3-16)19-9(7(6)17)15-2-1-5(13)14-10(15)18/h1-2,4,6-9,16-17H,3H2,(H2,13,14,18)/t4-,6?,7-,9-/m1/s1
InChIKeyLFLARBFFQWWSCG-PZGHOWDQSA-N
MW277.23 g/mol
LogP-1.04
Rot. Bonds3

About 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 126586873) has the molecular formula C10H13F2N3O4 and a molecular weight of 277.23 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID126586873
Molecular FormulaC10H13F2N3O4
Molecular Weight277.23 g/mol
Exact Mass277.09
IUPAC Name4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CO)C(C(F)F)[C@H]2O)c(=O)n1
InChIInChI=1S/C10H13F2N3O4/c11-8(12)6-4(3-16)19-9(7(6)17)15-2-1-5(13)14-10(15)18/h1-2,4,6-9,16-17H,3H2,(H2,13,14,18)/t4-,6?,7-,9-/m1/s1
InChIKeyLFLARBFFQWWSCG-PZGHOWDQSA-N
XLogP-1.04
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-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-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10848727
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336
4-amino-1-[(2R,3S,4S,5R)-3-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21121840
4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
sodium;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydride
CID 173204866
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142242
4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142243
4-amino-1-[(2R,3S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71209795

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 126586873) is 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@@H]2O[C@H](CO)C(C(F)F)[C@H]2O)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is LFLARBFFQWWSCG-PZGHOWDQSA-N. The full InChI is InChI=1S/C10H13F2N3O4/c11-8(12)6-4(3-16)19-9(7(6)17)15-2-1-5(13)14-10(15)18/h1-2,4,6-9,16-17H,3H2,(H2,13,14,18)/t4-,6?,7-,9-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 277.23 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 126586873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).