3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one

C11H19N3O2 — CID 107506242

IUPAC3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCNC(COC)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-8-5-11(15)14(9(2)13-8)6-10(12-3)7-16-4/h5,10,12H,6-7H2,1-4H3
InChIKeyKKFKBUTXJWWYSR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.09
Rot. Bonds5

About 3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one

3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 107506242) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one
PubChem CID107506242
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCNC(COC)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-8-5-11(15)14(9(2)13-8)6-10(12-3)7-16-4/h5,10,12H,6-7H2,1-4H3
InChIKeyKKFKBUTXJWWYSR-UHFFFAOYSA-N
XLogP0.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.09
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-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one (CID 107506242) is 3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one is CNC(COC)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is KKFKBUTXJWWYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-5-11(15)14(9(2)13-8)6-10(12-3)7-16-4/h5,10,12H,6-7H2,1-4H3.
What are the key properties of 3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one?
3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 225.29 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-2-(methylamino)propyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 107506242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).