5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H23N3O4 — CID 28722028

IUPAC5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCCOCCCNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N3O4/c1-15-10-11(12(17)16(2)13(15)18)9-14-5-4-6-20-8-7-19-3/h10,14H,4-9H2,1-3H3
InChIKeyKWIFBSLJOMIHNQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.77
Rot. Bonds9

About 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28722028) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28722028
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCCOCCCNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N3O4/c1-15-10-11(12(17)16(2)13(15)18)9-14-5-4-6-20-8-7-19-3/h10,14H,4-9H2,1-3H3
InChIKeyKWIFBSLJOMIHNQ-UHFFFAOYSA-N
XLogP-0.77
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126564
5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 62733720
5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555533
tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
CID 81463235
1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
CID 28618755
3-(2-methoxyethoxy)-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28721823
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43728868
1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28670574
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 28722028) is 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is COCCOCCCNCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KWIFBSLJOMIHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-15-10-11(12(17)16(2)13(15)18)9-14-5-4-6-20-8-7-19-3/h10,14H,4-9H2,1-3H3.
What are the key properties of 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 285.34 g/mol, XLogP of -0.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28722028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).