5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione

C13H18N2O4 — CID 12509177

IUPAC5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
SMILESCc1cn(C2CCCO2)c(=O)n(C2CCCO2)c1=O
InChIInChI=1S/C13H18N2O4/c1-9-8-14(10-4-2-6-18-10)13(17)15(12(9)16)11-5-3-7-19-11/h8,10-11H,2-7H2,1H3
InChIKeyLSNPOOPKWRCRQM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.94
Rot. Bonds2

About 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione

5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 12509177) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID12509177
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
SMILESCc1cn(C2CCCO2)c(=O)n(C2CCCO2)c1=O
InChIInChI=1S/C13H18N2O4/c1-9-8-14(10-4-2-6-18-10)13(17)15(12(9)16)11-5-3-7-19-11/h8,10-11H,2-7H2,1H3
InChIKeyLSNPOOPKWRCRQM-UHFFFAOYSA-N
XLogP0.94
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-1,3-bis[(2S)-oxolan-2-yl]pyrimidine-2,4-dione
CID 76969882
5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione
CID 70585782
5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 24773982
1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 158540944
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
CID 7131417
5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 59149455
2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione
CID 12774897
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 118334097
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
5-fluoro-3-[(4-hydroxymorpholin-4-ium-4-yl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 59149405
N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
CID 17392303
3-[(2-chlorophenyl)methyl]-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 911393

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione (CID 12509177) is 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione is Cc1cn(C2CCCO2)c(=O)n(C2CCCO2)c1=O.
What is the InChIKey of 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is LSNPOOPKWRCRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-8-14(10-4-2-6-18-10)13(17)15(12(9)16)11-5-3-7-19-11/h8,10-11H,2-7H2,1H3.
What are the key properties of 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione?
5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 12509177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).