4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one

C46H71ClN12O20S — CID 160511458

IUPAC4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one
SMILESCC[C@@H](O)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N.C[C@@H](O)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N.Nc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1CSCCO.Nc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1[C@H](O)CCl
InChIInChI=1S/C12H19N3O5S.C12H19N3O5.C11H16ClN3O5.C11H17N3O5/c13-11-7(6-21-2-1-16)4-15(12(19)14-11)10-3-8(18)9(5-17)20-10;1-2-7(17)6-4-15(12(19)14-11(6)13)10-3-8(18)9(5-16)20-10;12-2-7(18)5-3-15(11(19)14-10(5)13)9-1-6(17)8(4-16)20-9;1-5(16)6-3-14(11(18)13-10(6)12)9-2-7(17)8(4-15)19-9/h4,8-10,16-18H,1-3,5-6H2,(H2,13,14,19);4,7-10,16-18H,2-3,5H2,1H3,(H2,13,14,19);3,6-9,16-18H,1-2,4H2,(H2,13,14,19);3,5,7-9,15-17H,2,4H2,1H3,(H2,12,13,18)/t8?,9-,10-;7-,8?,9-,10-;6?,7-,8-,9-;5-,7?,8-,9-/m1111/s1
InChIKeyQTCDAVQZCKENKI-DEFBPLRTSA-N
MW1179.66 g/mol
LogP-5.14
Rot. Bonds17

About 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one

4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one (PubChem CID 160511458) has the molecular formula C46H71ClN12O20S and a molecular weight of 1179.66 g/mol. Its IUPAC name is 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one
PubChem CID160511458
Molecular FormulaC46H71ClN12O20S
Molecular Weight1179.66 g/mol
Exact Mass1178.43
IUPAC Name4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one
SMILESCC[C@@H](O)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N.C[C@@H](O)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N.Nc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1CSCCO.Nc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1[C@H](O)CCl
InChIInChI=1S/C12H19N3O5S.C12H19N3O5.C11H16ClN3O5.C11H17N3O5/c13-11-7(6-21-2-1-16)4-15(12(19)14-11)10-3-8(18)9(5-17)20-10;1-2-7(17)6-4-15(12(19)14-11(6)13)10-3-8(18)9(5-16)20-10;12-2-7(18)5-3-15(11(19)14-10(5)13)9-1-6(17)8(4-16)20-9;1-5(16)6-3-14(11(18)13-10(6)12)9-2-7(17)8(4-15)19-9/h4,8-10,16-18H,1-3,5-6H2,(H2,13,14,19);4,7-10,16-18H,2-3,5H2,1H3,(H2,13,14,19);3,6-9,16-18H,1-2,4H2,(H2,13,14,19);3,5,7-9,15-17H,2,4H2,1H3,(H2,12,13,18)/t8?,9-,10-;7-,8?,9-,10-;6?,7-,8-,9-;5-,7?,8-,9-/m1111/s1
InChIKeyQTCDAVQZCKENKI-DEFBPLRTSA-N
XLogP-5.14
TPSA523.32 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.66
LogP ≤ 5-5.14
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 66718239
4-amino-5-(2-chloro-1-hydroxyethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 74433123
4-amino-5-(2-aminoethylsulfanylmethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 77175640
2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]acetic acid
CID 54053326
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
CID 57123438
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
4-amino-5-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10519531
5-[4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]-4-methylpent-3-enenitrile
CID 57276668
5-acetyl-4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 72736985
4-amino-6-deuterio-5-[dideuterio(hydroxy)methyl]-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71749132
2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]-15-oxohexadecanoic acid
CID 69347148
5-(2-chloro-1-hydroxyethyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57121645

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one (CID 160511458) is 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one is CC[C@@H](O)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N.C[C@@H](O)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N.Nc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1CSCCO.Nc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1[C@H](O)CCl.
What is the InChIKey of 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one?
The InChIKey is QTCDAVQZCKENKI-DEFBPLRTSA-N. The full InChI is InChI=1S/C12H19N3O5S.C12H19N3O5.C11H16ClN3O5.C11H17N3O5/c13-11-7(6-21-2-1-16)4-15(12(19)14-11)10-3-8(18)9(5-17)20-10;1-2-7(17)6-4-15(12(19)14-11(6)13)10-3-8(18)9(5-16)20-10;12-2-7(18)5-3-15(11(19)14-10(5)13)9-1-6(17)8(4-16)20-9;1-5(16)6-3-14(11(18)13-10(6)12)9-2-7(17)8(4-15)19-9/h4,8-10,16-18H,1-3,5-6H2,(H2,13,14,19);4,7-10,16-18H,2-3,5H2,1H3,(H2,13,14,19);3,6-9,16-18H,1-2,4H2,(H2,13,14,19);3,5,7-9,15-17H,2,4H2,1H3,(H2,12,13,18)/t8?,9-,10-;7-,8?,9-,10-;6?,7-,8-,9-;5-,7?,8-,9-/m1111/s1.
What are the key properties of 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one?
4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one has a molecular weight of 1179.66 g/mol, XLogP of -5.14, 17 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(1S)-2-chloro-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-[(1R)-1-hydroxyethyl]-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1R)-1-hydroxypropyl]pyrimidin-2-one is sourced from PubChem (CID 160511458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).