3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol

C14H25N3O2 — CID 106115794

IUPAC3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncnc(OCC)c1C
InChIInChI=1S/C14H25N3O2/c1-4-6-12(7-8-18)9-15-13-11(3)14(19-5-2)17-10-16-13/h10,12,18H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyLREBJLGBYBNKDG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.39
Rot. Bonds9

About 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol

3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 106115794) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID106115794
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncnc(OCC)c1C
InChIInChI=1S/C14H25N3O2/c1-4-6-12(7-8-18)9-15-13-11(3)14(19-5-2)17-10-16-13/h10,12,18H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyLREBJLGBYBNKDG-UHFFFAOYSA-N
XLogP2.39
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol with MolForge

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Related Compounds

3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118660
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106113772
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115743
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
5-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 82017186
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 66326883
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]hexan-1-ol
CID 103827619
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 106115794) is 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ncnc(OCC)c1C.
What is the InChIKey of 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is LREBJLGBYBNKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-6-12(7-8-18)9-15-13-11(3)14(19-5-2)17-10-16-13/h10,12,18H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106115794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).