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

C12H21N3O3 — CID 115355171

IUPAC3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H21N3O3/c1-5-12(16,6-2)8-13-11-14-9(17-3)7-10(15-11)18-4/h7,16H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyUCQYATYAOMEZRE-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.46
Rot. Bonds7

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

3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol (PubChem CID 115355171) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
PubChem CID115355171
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H21N3O3/c1-5-12(16,6-2)8-13-11-14-9(17-3)7-10(15-11)18-4/h7,16H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyUCQYATYAOMEZRE-UHFFFAOYSA-N
XLogP1.46
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol (CID 115355171) is 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1nc(OC)cc(OC)n1.
What is the InChIKey of 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol?
The InChIKey is UCQYATYAOMEZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-5-12(16,6-2)8-13-11-14-9(17-3)7-10(15-11)18-4/h7,16H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of 3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol?
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol has a molecular weight of 255.32 g/mol, XLogP of 1.46, 7 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]pentan-3-ol is sourced from PubChem (CID 115355171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).