5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one

C8H12ClN3O2 — CID 114676261

IUPAC5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyWRBYQOGDLZQINQ-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.36
Rot. Bonds4

About 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one

5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114676261) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114676261
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyWRBYQOGDLZQINQ-UHFFFAOYSA-N
XLogP0.36
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740468
5-chloro-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983136
4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241380
4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241383
5-chloro-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113616066
5-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113616107
5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586296
5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586306
5-chloro-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586325
5-chloro-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586335
4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586353
4-(3-aminopropoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586363

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one (CID 114676261) is 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one is CN(C)CCOc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is WRBYQOGDLZQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 217.66 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).