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

C14H23N3O2 — CID 79831786

IUPAC5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCCC2(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O2/c1-14(2)7-5-6-11(14)15-8-10-9-16(3)13(19)17(4)12(10)18/h9,11,15H,5-8H2,1-4H3
InChIKeyBBHWXKAGHUBKKO-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.75
Rot. Bonds3

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

5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 79831786) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID79831786
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCCC2(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O2/c1-14(2)7-5-6-11(14)15-8-10-9-16(3)13(19)17(4)12(10)18/h9,11,15H,5-8H2,1-4H3
InChIKeyBBHWXKAGHUBKKO-UHFFFAOYSA-N
XLogP0.75
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(1-Cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea
CID 138030077
5-[[(2,2-Dimethylcyclohexyl)amino]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138028726
5-[[[1-(3-aminopropyl)-4-tert-butylpyrrolidin-2-yl]methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 132234546
1-(4-Amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione;ethane
CID 142533041
1-(4-Amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione
CID 142533042
5-[(Cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28609997
5-[(Cyclopentylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28610980
1,3-Dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione
CID 28615157
5-[(Cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28646704
5-[(Hexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28675577
1,3-Dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione
CID 43200875
1,3-Dimethyl-5-[[(2-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione
CID 43201361

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 79831786) is 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNC2CCCC2(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BBHWXKAGHUBKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2)7-5-6-11(14)15-8-10-9-16(3)13(19)17(4)12(10)18/h9,11,15H,5-8H2,1-4H3.
What are the key properties of 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 79831786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).