2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol

C12H20N4OS — CID 97042079

IUPAC2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol
SMILESCc1ncc(CN2CS[C@H](CCO)[C@@H]2C)c(N)n1
InChIInChI=1S/C12H20N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,8,11,17H,3-4,6-7H2,1-2H3,(H2,13,14,15)/t8-,11+/m0/s1
InChIKeyUHDJMGZAZNFDEZ-GZMMTYOYSA-N
MW268.39 g/mol
LogP1.01
Rot. Bonds4

About 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol

2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol (PubChem CID 97042079) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol
PubChem CID97042079
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol
SMILESCc1ncc(CN2CS[C@H](CCO)[C@@H]2C)c(N)n1
InChIInChI=1S/C12H20N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,8,11,17H,3-4,6-7H2,1-2H3,(H2,13,14,15)/t8-,11+/m0/s1
InChIKeyUHDJMGZAZNFDEZ-GZMMTYOYSA-N
XLogP1.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol?
The IUPAC name of 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol (CID 97042079) is 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol.
What is the SMILES notation for 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol?
The canonical SMILES for 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol is Cc1ncc(CN2CS[C@H](CCO)[C@@H]2C)c(N)n1.
What is the InChIKey of 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol?
The InChIKey is UHDJMGZAZNFDEZ-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,8,11,17H,3-4,6-7H2,1-2H3,(H2,13,14,15)/t8-,11+/m0/s1.
What are the key properties of 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol?
2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol has a molecular weight of 268.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5R)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethanol is sourced from PubChem (CID 97042079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).