5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one

C8H13N3O — CID 150725328

IUPAC5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCN(C)CCc1cnc[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-11(2)4-3-7-5-9-6-10-8(7)12/h5-6H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyJQSCUJQGNCHUHY-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.13
Rot. Bonds3

About 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one

5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 150725328) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID150725328
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCN(C)CCc1cnc[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-11(2)4-3-7-5-9-6-10-8(7)12/h5-6H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyJQSCUJQGNCHUHY-UHFFFAOYSA-N
XLogP-0.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one (CID 150725328) is 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one is CN(C)CCc1cnc[nH]c1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is JQSCUJQGNCHUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11(2)4-3-7-5-9-6-10-8(7)12/h5-6H,3-4H2,1-2H3,(H,9,10,12).
What are the key properties of 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 150725328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).