6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H23N3O4 — CID 95270913

IUPAC6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCCC[C@@H]2C2OCCO2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H23N3O4/c1-16-11(9-13(19)17(2)15(16)20)10-18-6-4-3-5-12(18)14-21-7-8-22-14/h9,12,14H,3-8,10H2,1-2H3/t12-/m1/s1
InChIKeyURHZJSMLDZARRQ-GFCCVEGCSA-N
MW309.37 g/mol
LogP-0.19
Rot. Bonds3

About 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 95270913) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID95270913
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCCC[C@@H]2C2OCCO2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H23N3O4/c1-16-11(9-13(19)17(2)15(16)20)10-18-6-4-3-5-12(18)14-21-7-8-22-14/h9,12,14H,3-8,10H2,1-2H3/t12-/m1/s1
InChIKeyURHZJSMLDZARRQ-GFCCVEGCSA-N
XLogP-0.19
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
CID 42890000
methyl (2R)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-2-carboxylate
CID 79835424
6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 112734010
6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95307044
6-[[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 100848655
7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 95299204
6-[[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95578957
1,3-dimethyl-6-[[4-[(2S)-1-(oxane-4-carbonyl)azepan-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95346288
1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 71900504
methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56502395
2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine
CID 84593778
6-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 128989812

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 95270913) is 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CCCC[C@@H]2C2OCCO2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is URHZJSMLDZARRQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-16-11(9-13(19)17(2)15(16)20)10-18-6-4-3-5-12(18)14-21-7-8-22-14/h9,12,14H,3-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 95270913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).