3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol

C13H23N3O3 — CID 106115742

IUPAC3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H23N3O3/c1-4-5-10(6-7-17)9-14-13-15-11(18-2)8-12(16-13)19-3/h8,10,17H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyWHGPJTGISOOJCS-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.70
Rot. Bonds9

About 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol

3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol (PubChem CID 106115742) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
PubChem CID106115742
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H23N3O3/c1-4-5-10(6-7-17)9-14-13-15-11(18-2)8-12(16-13)19-3/h8,10,17H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyWHGPJTGISOOJCS-UHFFFAOYSA-N
XLogP1.70
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol with MolForge

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Related Compounds

3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118553
3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 114145921
N-(2-ethylhexyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 107816517
2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
CID 106115688
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 104924549
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 106116866
3-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 106544559
3-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145570
3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118510
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719

Frequently Asked Questions

What is the IUPAC name of 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol (CID 106115742) is 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc(OC)cc(OC)n1.
What is the InChIKey of 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol?
The InChIKey is WHGPJTGISOOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-5-10(6-7-17)9-14-13-15-11(18-2)8-12(16-13)19-3/h8,10,17H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol?
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106115742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).