4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione

C10H14FN3O3S — CID 88940575

IUPAC4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
SMILESCc1cn([C@@H]2O[C@H](CO)C(O)C2F)c(=S)nc1N
InChIInChI=1S/C10H14FN3O3S/c1-4-2-14(10(18)13-8(4)12)9-6(11)7(16)5(3-15)17-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,18)/t5-,6?,7?,9-/m1/s1
InChIKeyNDGFWPKWYKAOCQ-SZDPNDIZSA-N
MW275.31 g/mol
LogP0.09
Rot. Bonds2

About 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione

4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione (PubChem CID 88940575) has the molecular formula C10H14FN3O3S and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
PubChem CID88940575
Molecular FormulaC10H14FN3O3S
Molecular Weight275.31 g/mol
Exact Mass275.07
IUPAC Name4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
SMILESCc1cn([C@@H]2O[C@H](CO)C(O)C2F)c(=S)nc1N
InChIInChI=1S/C10H14FN3O3S/c1-4-2-14(10(18)13-8(4)12)9-6(11)7(16)5(3-15)17-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,18)/t5-,6?,7?,9-/m1/s1
InChIKeyNDGFWPKWYKAOCQ-SZDPNDIZSA-N
XLogP0.09
TPSA93.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
The IUPAC name of 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione (CID 88940575) is 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione.
What is the SMILES notation for 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
The canonical SMILES for 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione is Cc1cn([C@@H]2O[C@H](CO)C(O)C2F)c(=S)nc1N.
What is the InChIKey of 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
The InChIKey is NDGFWPKWYKAOCQ-SZDPNDIZSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-4-2-14(10(18)13-8(4)12)9-6(11)7(16)5(3-15)17-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,18)/t5-,6?,7?,9-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione has a molecular weight of 275.31 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione is sourced from PubChem (CID 88940575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).