2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol

C14H23N3O3 — CID 91778452

IUPAC2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol
SMILESCc1nc(C)c(C)c(N[C@@H]2CCOC[C@H]2OCCO)n1
InChIInChI=1S/C14H23N3O3/c1-9-10(2)15-11(3)16-14(9)17-12-4-6-19-8-13(12)20-7-5-18/h12-13,18H,4-8H2,1-3H3,(H,15,16,17)/t12-,13-/m1/s1
InChIKeyPHQNMANFUVZLHW-CHWSQXEVSA-N
MW281.36 g/mol
LogP0.98
Rot. Bonds5

About 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol

2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol (PubChem CID 91778452) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol
PubChem CID91778452
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol
SMILESCc1nc(C)c(C)c(N[C@@H]2CCOC[C@H]2OCCO)n1
InChIInChI=1S/C14H23N3O3/c1-9-10(2)15-11(3)16-14(9)17-12-4-6-19-8-13(12)20-7-5-18/h12-13,18H,4-8H2,1-3H3,(H,15,16,17)/t12-,13-/m1/s1
InChIKeyPHQNMANFUVZLHW-CHWSQXEVSA-N
XLogP0.98
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide
CID 91781227
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 91760856
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91780754
3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide
CID 91773298
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 91773132
1-N-(2,5,6-trimethylpyrimidin-4-yl)cyclopropane-1,2-diamine
CID 83619924
2-chloro-4-fluoro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-5-methylbenzenesulfonamide
CID 91774576
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide
CID 91783033
2-[(3S,4R)-4-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]oxan-3-yl]oxyethanol
CID 91766427
N-cyclobutyl-2,5,6-trimethylpyrimidin-4-amine
CID 130906121
2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91797508
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol?
The IUPAC name of 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol (CID 91778452) is 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol.
What is the SMILES notation for 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol?
The canonical SMILES for 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol is Cc1nc(C)c(C)c(N[C@@H]2CCOC[C@H]2OCCO)n1.
What is the InChIKey of 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol?
The InChIKey is PHQNMANFUVZLHW-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9-10(2)15-11(3)16-14(9)17-12-4-6-19-8-13(12)20-7-5-18/h12-13,18H,4-8H2,1-3H3,(H,15,16,17)/t12-,13-/m1/s1.
What are the key properties of 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol?
2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol has a molecular weight of 281.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol is sourced from PubChem (CID 91778452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).