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

C16H27N3O3 — CID 119126564

IUPAC5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCCOC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C16H27N3O3/c1-18-12-13(15(20)19(2)16(18)21)11-17-9-6-10-22-14-7-4-3-5-8-14/h12,14,17H,3-11H2,1-2H3
InChIKeyVMOJLFYYIQPRMY-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.91
Rot. Bonds7

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

5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 119126564) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID119126564
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCCOC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C16H27N3O3/c1-18-12-13(15(20)19(2)16(18)21)11-17-9-6-10-22-14-7-4-3-5-8-14/h12,14,17H,3-11H2,1-2H3
InChIKeyVMOJLFYYIQPRMY-UHFFFAOYSA-N
XLogP0.91
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103625241
5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126605
5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28722028
3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 28878150
1,3-dimethyl-5-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrimidine-2,4-dione
CID 119126550
1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione
CID 104923026
3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28720311
3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
3-cyclohexyloxy-N-[[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 119107855
N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide
CID 28710634
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 81039646

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 119126564) is 5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCCCOC2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VMOJLFYYIQPRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-18-12-13(15(20)19(2)16(18)21)11-17-9-6-10-22-14-7-4-3-5-8-14/h12,14,17H,3-11H2,1-2H3.
What are the key properties of 5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 309.41 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 119126564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).