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

C15H25N3O2 — CID 103625241

IUPAC5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCCC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H25N3O2/c1-17-11-13(14(19)18(2)15(17)20)10-16-9-5-8-12-6-3-4-7-12/h11-12,16H,3-10H2,1-2H3
InChIKeyOYGWVAONEPLACS-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.14
Rot. Bonds6

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

5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 103625241) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID103625241
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCCC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H25N3O2/c1-17-11-13(14(19)18(2)15(17)20)10-16-9-5-8-12-6-3-4-7-12/h11-12,16H,3-10H2,1-2H3
InChIKeyOYGWVAONEPLACS-UHFFFAOYSA-N
XLogP1.14
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126564
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126605
1,3-dimethyl-5-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrimidine-2,4-dione
CID 119126550
5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28722028
3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
CID 114136754
1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione
CID 104923026
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
5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60855846
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614149
4-[(3-cyclopentylpropylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103527016

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 103625241) is 5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCCCC2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OYGWVAONEPLACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17-11-13(14(19)18(2)15(17)20)10-16-9-5-8-12-6-3-4-7-12/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 279.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 103625241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).