1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione

C11H16N2O4 — CID 712759

IUPAC1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@@H]2COC(C)(C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-7-4-13(10(15)12-9(7)14)5-8-6-16-11(2,3)17-8/h4,8H,5-6H2,1-3H3,(H,12,14,15)/t8-/m1/s1
InChIKeyHWIGLXQJOUDXCX-MRVPVSSYSA-N
MW240.26 g/mol
LogP-0.00
Rot. Bonds2

About 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione

1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 712759) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
PubChem CID712759
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@@H]2COC(C)(C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-7-4-13(10(15)12-9(7)14)5-8-6-16-11(2,3)17-8/h4,8H,5-6H2,1-3H3,(H,12,14,15)/t8-/m1/s1
InChIKeyHWIGLXQJOUDXCX-MRVPVSSYSA-N
XLogP-0.00
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-5-methylpyrimidine-2,4-dione;1-[4-hydroxy-3-(hydroxymethyl)butyl]-5-methylpyrimidine-2,4-dione
CID 160562430
1-[[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10801040
1-[[(1S,2R,4R)-2-hydroxy-4-(hydroxymethyl)cyclobutyl]methyl]-5-methylpyrimidine-2,4-dione
CID 11447810
1-[[(3S,5R)-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-3-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 102310039
1-[[(1S,3R)-2,2-difluoro-3-(3-hydroxypropyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
CID 101334214
azanium;1-[(5-dimethylphosphoryloxolan-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydroxy-[5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-2-yl]phosphinate
CID 161478399
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
CID 20676015
1-[(1R,8R)-7-hydroxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-8-yl]-5-methylpyrimidine-2,4-dione
CID 71207043
1-[[(1S,2S,4S,7R)-2-chloro-5-hydroxy-7-bicyclo[2.2.1]heptanyl]methyl]-5-methylpyrimidine-2,4-dione
CID 158504531
[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]aziridin-1-yl]methylphosphonic acid
CID 501412
1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione
CID 638926
5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 10741582

Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione (CID 712759) is 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C[C@@H]2COC(C)(C)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is HWIGLXQJOUDXCX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-4-13(10(15)12-9(7)14)5-8-6-16-11(2,3)17-8/h4,8H,5-6H2,1-3H3,(H,12,14,15)/t8-/m1/s1.
What are the key properties of 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 712759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).