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

C10H15N3O3S — CID 3005947

IUPAC4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=S)nc1N
InChIInChI=1S/C10H15N3O3S/c1-5-3-13(10(17)12-9(5)11)8-2-6(15)7(4-14)16-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,17)/t6-,7+,8+/m0/s1
InChIKeyYHFDOGIIGSBFAC-XLPZGREQSA-N
MW257.31 g/mol
LogP0.14
Rot. Bonds2

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

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione (PubChem CID 3005947) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
PubChem CID3005947
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=S)nc1N
InChIInChI=1S/C10H15N3O3S/c1-5-3-13(10(17)12-9(5)11)8-2-6(15)7(4-14)16-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,17)/t6-,7+,8+/m0/s1
InChIKeyYHFDOGIIGSBFAC-XLPZGREQSA-N
XLogP0.14
TPSA93.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.14
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,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione (CID 3005947) is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione is Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=S)nc1N.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
The InChIKey is YHFDOGIIGSBFAC-XLPZGREQSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5-3-13(10(17)12-9(5)11)8-2-6(15)7(4-14)16-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,17)/t6-,7+,8+/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione?
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione has a molecular weight of 257.31 g/mol, XLogP of 0.14, 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,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione is sourced from PubChem (CID 3005947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).