5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione

C14H23N3O2 — CID 1085048

IUPAC5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@@H]1CC(C)(C)CCN1c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-4-5-10-8-14(2,3)6-7-17(10)11-9-15-13(19)16-12(11)18/h9-10H,4-8H2,1-3H3,(H2,15,16,18,19)/t10-/m1/s1
InChIKeyXVEWYGVNVUXLFZ-SNVBAGLBSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds3

About 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione

5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 1085048) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID1085048
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@@H]1CC(C)(C)CCN1c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-4-5-10-8-14(2,3)6-7-17(10)11-9-15-13(19)16-12(11)18/h9-10H,4-8H2,1-3H3,(H2,15,16,18,19)/t10-/m1/s1
InChIKeyXVEWYGVNVUXLFZ-SNVBAGLBSA-N
XLogP1.86
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-1-methyl-5-((2,2,6,6-tetramethylpiperidin-4-yl)amino)pyrimidine-2,4(1H,3H)-dione
CID 4846739
5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-2,4(1H,3H)-pyrimidinedione
CID 2946318
5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
CID 3154244
6-(2-ethyl-4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 6618800
5-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
CID 17275060
[3-[6-(5-amino-2,4-dioxo-1H-pyrimidin-3-yl)-2-ethyl-5-methylhexyl]-1,1,3-trimethyl-2,4-dioxopyrimidine-1,3-diium-5-yl]-trimethylazanium
CID 170533490
5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione
CID 975009
5-[(2S)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 1085047
5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1H-pyrimidine-2,4-dione
CID 6546994
6-Amino-1-methyl-5-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]pyrimidine-2,4-dione
CID 7999822
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 26952773
N-(2,4-dihydroxypyrimidin-5-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
CID 42535181

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione (CID 1085048) is 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione is CCC[C@@H]1CC(C)(C)CCN1c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is XVEWYGVNVUXLFZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-10-8-14(2,3)6-7-17(10)11-9-15-13(19)16-12(11)18/h9-10H,4-8H2,1-3H3,(H2,15,16,18,19)/t10-/m1/s1.
What are the key properties of 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione?
5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1085048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).