3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol

C11H18N2O3 — CID 101048701

IUPAC3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(OC)nc(OC)n1
InChIInChI=1S/C11H18N2O3/c1-5-11(14,6-2)8-7-9(15-3)13-10(12-8)16-4/h7,14H,5-6H2,1-4H3
InChIKeyKLWDIQNDMUIEHB-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.50
Rot. Bonds5

About 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol

3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol (PubChem CID 101048701) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol
PubChem CID101048701
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(OC)nc(OC)n1
InChIInChI=1S/C11H18N2O3/c1-5-11(14,6-2)8-7-9(15-3)13-10(12-8)16-4/h7,14H,5-6H2,1-4H3
InChIKeyKLWDIQNDMUIEHB-UHFFFAOYSA-N
XLogP1.50
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol?
The IUPAC name of 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol (CID 101048701) is 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol.
What is the SMILES notation for 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol?
The canonical SMILES for 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol is CCC(O)(CC)c1cc(OC)nc(OC)n1.
What is the InChIKey of 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol?
The InChIKey is KLWDIQNDMUIEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-11(14,6-2)8-7-9(15-3)13-10(12-8)16-4/h7,14H,5-6H2,1-4H3.
What are the key properties of 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol?
3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol has a molecular weight of 226.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxypyrimidin-4-yl)pentan-3-ol is sourced from PubChem (CID 101048701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).