5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H24N4O2 — CID 79032300

IUPAC5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CC(NCc2cn(C)c(=O)n(C)c2=O)CCN1C
InChIInChI=1S/C14H24N4O2/c1-10-7-12(5-6-16(10)2)15-8-11-9-17(3)14(20)18(4)13(11)19/h9-10,12,15H,5-8H2,1-4H3
InChIKeyCMYGRDZUZCWEMF-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.34
Rot. Bonds3

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

5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 79032300) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID79032300
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CC(NCc2cn(C)c(=O)n(C)c2=O)CCN1C
InChIInChI=1S/C14H24N4O2/c1-10-7-12(5-6-16(10)2)15-8-11-9-17(3)14(20)18(4)13(11)19/h9-10,12,15H,5-8H2,1-4H3
InChIKeyCMYGRDZUZCWEMF-UHFFFAOYSA-N
XLogP-0.34
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 79032300) is 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CC1CC(NCc2cn(C)c(=O)n(C)c2=O)CCN1C.
What is the InChIKey of 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CMYGRDZUZCWEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-7-12(5-6-16(10)2)15-8-11-9-17(3)14(20)18(4)13(11)19/h9-10,12,15H,5-8H2,1-4H3.
What are the key properties of 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 79032300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).