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

C8H13N3O — CID 176568630

IUPAC5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCC(c1cnc[nH]c1=O)N(C)C
InChIInChI=1S/C8H13N3O/c1-6(11(2)3)7-4-9-5-10-8(7)12/h4-6H,1-3H3,(H,9,10,12)
InChIKeyHJIIQAMLBQVLFK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.39
Rot. Bonds2

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

5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 176568630) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID176568630
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCC(c1cnc[nH]c1=O)N(C)C
InChIInChI=1S/C8H13N3O/c1-6(11(2)3)7-4-9-5-10-8(7)12/h4-6H,1-3H3,(H,9,10,12)
InChIKeyHJIIQAMLBQVLFK-UHFFFAOYSA-N
XLogP0.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethylpyrimidin-4-ol
CID 12423733
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
5-tert-butyl-1H-pyrimidin-6-one
CID 59212612
5-propan-2-yl-1H-pyrimidin-6-one
CID 68211213
5-Ethyl-3-propan-2-ylpyrimidin-4-one
CID 89749441
5-Ethyl-3-methylpyrimidin-4-one
CID 126718918
ethane;5-propan-2-yl-1H-pyrimidin-6-one
CID 142561621
5-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
CID 150725328
3-Methyl-5-prop-1-en-2-ylpyrimidin-4-one
CID 165135880
5-ethyl-2-hydroxy-3-propan-2-yl-1H-pyrimidin-3-ium-6-one
CID 169968662
5-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrimidin-6-one
CID 172329324
CID 173779947
CID 173779947

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one (CID 176568630) is 5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one is CC(c1cnc[nH]c1=O)N(C)C.
What is the InChIKey of 5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is HJIIQAMLBQVLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(11(2)3)7-4-9-5-10-8(7)12/h4-6H,1-3H3,(H,9,10,12).
What are the key properties of 5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 176568630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).