4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione

C15H25N3O5S — CID 88940506

IUPAC4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
SMILESCOCCOC1C(OC)[C@@H](COC)O[C@H]1n1cc(C)c(N)nc1=S
InChIInChI=1S/C15H25N3O5S/c1-9-7-18(15(24)17-13(9)16)14-12(22-6-5-19-2)11(21-4)10(23-14)8-20-3/h7,10-12,14H,5-6,8H2,1-4H3,(H2,16,17,24)/t10-,11?,12?,14-/m1/s1
InChIKeyLVVUOGIMJJHPHZ-MLCFOIATSA-N
MW359.45 g/mol
LogP1.09
Rot. Bonds8

About 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione

4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione (PubChem CID 88940506) has the molecular formula C15H25N3O5S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
PubChem CID88940506
Molecular FormulaC15H25N3O5S
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC Name4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
SMILESCOCCOC1C(OC)[C@@H](COC)O[C@H]1n1cc(C)c(N)nc1=S
InChIInChI=1S/C15H25N3O5S/c1-9-7-18(15(24)17-13(9)16)14-12(22-6-5-19-2)11(21-4)10(23-14)8-20-3/h7,10-12,14H,5-6,8H2,1-4H3,(H2,16,17,24)/t10-,11?,12?,14-/m1/s1
InChIKeyLVVUOGIMJJHPHZ-MLCFOIATSA-N
XLogP1.09
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(2R,3S,5R)-3-but-3-ynoxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 155657461
9-[4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 76759659
4-amino-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 97311787
4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 156513859
4-amino-1-[(2R,4S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidin-2-one
CID 153457446
[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-(2-methoxyethoxy)-2-propyloxolan-3-yl] methyl hydrogen phosphate
CID 122524984
4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878
4-amino-1-[(2R,4S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] methyl hydrogen phosphate;[(2R,3S,5R)-2-ethyl-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl hydrogen phosphate;1-[(2R,4S,5R)-5-ethyl-4-methoxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 158015816
4-amino-1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one;1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159514642
4-amino-1-[(2R,3R,4R,5R)-4-methoxy-5-(methoxymethyl)-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one
CID 161190731
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843
9-[(2R,3R,4R,5R)-3-(2-ethoxyethoxymethoxy)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 155196415

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
The IUPAC name of 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione (CID 88940506) is 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione.
What is the SMILES notation for 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
The canonical SMILES for 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione is COCCOC1C(OC)[C@@H](COC)O[C@H]1n1cc(C)c(N)nc1=S.
What is the InChIKey of 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
The InChIKey is LVVUOGIMJJHPHZ-MLCFOIATSA-N. The full InChI is InChI=1S/C15H25N3O5S/c1-9-7-18(15(24)17-13(9)16)14-12(22-6-5-19-2)11(21-4)10(23-14)8-20-3/h7,10-12,14H,5-6,8H2,1-4H3,(H2,16,17,24)/t10-,11?,12?,14-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione has a molecular weight of 359.45 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione is sourced from PubChem (CID 88940506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).