[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol

C13H21N3O3 — CID 106300137

IUPAC[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCCOc1ncnc(NC2(CO)CCOCC2)c1C
InChIInChI=1S/C13H21N3O3/c1-3-19-12-10(2)11(14-9-15-12)16-13(8-17)4-6-18-7-5-13/h9,17H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyYZQZXZXRNKVQHW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.14
Rot. Bonds5

About [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol

[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol (PubChem CID 106300137) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
PubChem CID106300137
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCCOc1ncnc(NC2(CO)CCOCC2)c1C
InChIInChI=1S/C13H21N3O3/c1-3-19-12-10(2)11(14-9-15-12)16-13(8-17)4-6-18-7-5-13/h9,17H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyYZQZXZXRNKVQHW-UHFFFAOYSA-N
XLogP1.14
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol with MolForge

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Related Compounds

[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301522
[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300157
6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104762708
[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol
CID 106300257
[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 80919373
1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327090
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
CID 106296813
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301168
[4-[(6-chloro-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170521
[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol
CID 106301212

Frequently Asked Questions

What is the IUPAC name of [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol (CID 106300137) is [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol is CCOc1ncnc(NC2(CO)CCOCC2)c1C.
What is the InChIKey of [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The InChIKey is YZQZXZXRNKVQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-19-12-10(2)11(14-9-15-12)16-13(8-17)4-6-18-7-5-13/h9,17H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol has a molecular weight of 267.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106300137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).