5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one

C11H19N3O — CID 141022529

IUPAC5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCCc1c(C)nc(CCNC)n(C)c1=O
InChIInChI=1S/C11H19N3O/c1-5-9-8(2)13-10(6-7-12-3)14(4)11(9)15/h12H,5-7H2,1-4H3
InChIKeyUXCGLLCZEACUHW-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.41
Rot. Bonds4

About 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one

5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one (PubChem CID 141022529) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one
PubChem CID141022529
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one
SMILESCCc1c(C)nc(CCNC)n(C)c1=O
InChIInChI=1S/C11H19N3O/c1-5-9-8(2)13-10(6-7-12-3)14(4)11(9)15/h12H,5-7H2,1-4H3
InChIKeyUXCGLLCZEACUHW-UHFFFAOYSA-N
XLogP0.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
5-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136089133
2-Methyl-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4(3H)-one
CID 135578164
2-methyl-3H,4H,5H,6H,7H,8H,9H-pyrimido(4,5-d)azepin-4-one dihydrochloride
CID 154857238
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 135931992
2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 135671154
3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one dihydrochloride
CID 72942019
2,4-dimethyl-5-[1-(3,3,3-trifluoropropylamino)ethyl]-1H-pyrimidin-6-one
CID 136043593
2,4-dimethyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091214
2-(2-aminoethyl)-4-tert-butyl-5-fluoro-1H-pyrimidin-6-one
CID 136315563
2,4-dimethyl-5-[1-(4,4,4-trifluorobutan-2-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136786637

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one (CID 141022529) is 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one is CCc1c(C)nc(CCNC)n(C)c1=O.
What is the InChIKey of 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one?
The InChIKey is UXCGLLCZEACUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-9-8(2)13-10(6-7-12-3)14(4)11(9)15/h12H,5-7H2,1-4H3.
What are the key properties of 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one?
5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 141022529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).