3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one

C12H21N3O2 — CID 107506243

IUPAC3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(COC)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H21N3O2/c1-5-13-11(8-17-4)7-15-10(3)14-9(2)6-12(15)16/h6,11,13H,5,7-8H2,1-4H3
InChIKeyVOGZTISRILZYJM-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.48
Rot. Bonds6

About 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one

3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 107506243) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one
PubChem CID107506243
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(COC)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H21N3O2/c1-5-13-11(8-17-4)7-15-10(3)14-9(2)6-12(15)16/h6,11,13H,5,7-8H2,1-4H3
InChIKeyVOGZTISRILZYJM-UHFFFAOYSA-N
XLogP0.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-2-(morpholinomethyl)-4-pyrimidinol
CID 135408235
2-Methyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135452238
2-methoxy-N-[(9-methyl-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide
CID 97467765
2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide
CID 97467767
N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
N'-[(6-hydroxypyrimidin-4-yl)methyl]-N-(2-methoxyethyl)-N-propylurea
CID 137028656
4-[(2-methoxyethylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095484
4-[(2-methoxyethylamino)methyl]-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136283607
4-[(propan-2-ylamino)methyl]-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842541
2-[2-(2,2-difluoroethoxy)ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136842542
4-[(2-methoxyethylamino)methyl]-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842549
2-[2-(2,2-difluoroethoxy)ethyl]-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136842550

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one (CID 107506243) is 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one is CCNC(COC)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is VOGZTISRILZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-13-11(8-17-4)7-15-10(3)14-9(2)6-12(15)16/h6,11,13H,5,7-8H2,1-4H3.
What are the key properties of 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 239.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-3-methoxypropyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 107506243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).