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

C17H30N4O2 — CID 119126605

IUPAC5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCCNCc1cn(C)c(=O)n(C)c1=O)C1CCCCC1
InChIInChI=1S/C17H30N4O2/c1-19(15-8-5-4-6-9-15)11-7-10-18-12-14-13-20(2)17(23)21(3)16(14)22/h13,15,18H,4-12H2,1-3H3
InChIKeyNREUXEAZJVKZKY-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.83
Rot. Bonds7

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

5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 119126605) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID119126605
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCCNCc1cn(C)c(=O)n(C)c1=O)C1CCCCC1
InChIInChI=1S/C17H30N4O2/c1-19(15-8-5-4-6-9-15)11-7-10-18-12-14-13-20(2)17(23)21(3)16(14)22/h13,15,18H,4-12H2,1-3H3
InChIKeyNREUXEAZJVKZKY-UHFFFAOYSA-N
XLogP0.83
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.83
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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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 119126605) is 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CN(CCCNCc1cn(C)c(=O)n(C)c1=O)C1CCCCC1.
What is the InChIKey of 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NREUXEAZJVKZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-19(15-8-5-4-6-9-15)11-7-10-18-12-14-13-20(2)17(23)21(3)16(14)22/h13,15,18H,4-12H2,1-3H3.
What are the key properties of 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 322.45 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 119126605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).