2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one

C9H16N4O — CID 84667044

IUPAC2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCC(N)c1nc(N(C)C)cc(=O)n1C
InChIInChI=1S/C9H16N4O/c1-6(10)9-11-7(12(2)3)5-8(14)13(9)4/h5-6H,10H2,1-4H3
InChIKeyBNGKODJLUDXMRJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.13
Rot. Bonds2

About 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one

2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one (PubChem CID 84667044) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
PubChem CID84667044
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCC(N)c1nc(N(C)C)cc(=O)n1C
InChIInChI=1S/C9H16N4O/c1-6(10)9-11-7(12(2)3)5-8(14)13(9)4/h5-6H,10H2,1-4H3
InChIKeyBNGKODJLUDXMRJ-UHFFFAOYSA-N
XLogP-0.13
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136932128
2,6-Dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one
CID 55227672
3-[2-[2-(Diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one
CID 55235494
2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63362941
2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 63362942
4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63553929
3-(2-Aminopentyl)-2,6-dimethylpyrimidin-4-one
CID 63767940
2,6-Dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one
CID 63767942
2,6-Dimethyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
CID 63768997
2,6-Dimethyl-3-[2-(methylamino)propyl]pyrimidin-4-one
CID 63768999

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one (CID 84667044) is 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one is CC(N)c1nc(N(C)C)cc(=O)n1C.
What is the InChIKey of 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The InChIKey is BNGKODJLUDXMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(10)9-11-7(12(2)3)5-8(14)13(9)4/h5-6H,10H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one has a molecular weight of 196.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 84667044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).