1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione

C16H17ClFN3O5 — CID 53325965

IUPAC1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2O[C@H](CNCc3ccccc3Cl)[C@@H](O)[C@H]2O)cc1F
InChIInChI=1S/C16H17ClFN3O5/c17-9-4-2-1-3-8(9)5-19-6-11-12(22)13(23)15(26-11)21-7-10(18)14(24)20-16(21)25/h1-4,7,11-13,15,19,22-23H,5-6H2,(H,20,24,25)/t11-,12-,13-,15-/m1/s1
InChIKeyNMIPUPLWOJRPEW-RGCMKSIDSA-N
MW385.78 g/mol
LogP-0.26
Rot. Bonds5

About 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione

1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione (PubChem CID 53325965) has the molecular formula C16H17ClFN3O5 and a molecular weight of 385.78 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
PubChem CID53325965
Molecular FormulaC16H17ClFN3O5
Molecular Weight385.78 g/mol
Exact Mass385.08
IUPAC Name1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2O[C@H](CNCc3ccccc3Cl)[C@@H](O)[C@H]2O)cc1F
InChIInChI=1S/C16H17ClFN3O5/c17-9-4-2-1-3-8(9)5-19-6-11-12(22)13(23)15(26-11)21-7-10(18)14(24)20-16(21)25/h1-4,7,11-13,15,19,22-23H,5-6H2,(H,20,24,25)/t11-,12-,13-,15-/m1/s1
InChIKeyNMIPUPLWOJRPEW-RGCMKSIDSA-N
XLogP-0.26
TPSA116.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione 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

1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 7059460
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14530807
1-[(2S,5S)-5-[[(2,3-dichlorophenyl)methylamino]methyl]-4-hydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione
CID 57136416
N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide
CID 57180325
5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14308790
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-3-phenylprop-2-enoate
CID 14539823
2-aminoacetic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 67362589
[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate
CID 57307799
1-[(2R,5R)-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 71684674
1-[(2R,3R,4S,5R)-5-deuterio-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 131708567
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione (CID 53325965) is 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@@H]2O[C@H](CNCc3ccccc3Cl)[C@@H](O)[C@H]2O)cc1F.
What is the InChIKey of 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is NMIPUPLWOJRPEW-RGCMKSIDSA-N. The full InChI is InChI=1S/C16H17ClFN3O5/c17-9-4-2-1-3-8(9)5-19-6-11-12(22)13(23)15(26-11)21-7-10(18)14(24)20-16(21)25/h1-4,7,11-13,15,19,22-23H,5-6H2,(H,20,24,25)/t11-,12-,13-,15-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 385.78 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 53325965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).