1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione

C14H20N2O6 — CID 123334680

IUPAC1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
SMILESCC(O)C1OC(n2ccc(=O)[nH]c2=O)C2(C)OC(C)(C)OC12
InChIInChI=1S/C14H20N2O6/c1-7(17)9-10-14(4,22-13(2,3)21-10)11(20-9)16-6-5-8(18)15-12(16)19/h5-7,9-11,17H,1-4H3,(H,15,18,19)
InChIKeyNCNGSWUUXPBEST-UHFFFAOYSA-N
MW312.32 g/mol
LogP-0.28
Rot. Bonds2

About 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione

1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione (PubChem CID 123334680) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
PubChem CID123334680
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
SMILESCC(O)C1OC(n2ccc(=O)[nH]c2=O)C2(C)OC(C)(C)OC12
InChIInChI=1S/C14H20N2O6/c1-7(17)9-10-14(4,22-13(2,3)21-10)11(20-9)16-6-5-8(18)15-12(16)19/h5-7,9-11,17H,1-4H3,(H,15,18,19)
InChIKeyNCNGSWUUXPBEST-UHFFFAOYSA-N
XLogP-0.28
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,3R,5R)-3-amino-3-(2-chloroethynyl)-4-hydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 167374947
1-[(5S)-5-(dihydroxymethyl)-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 163855944
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59504113
1-[(3aR,4R,6aS)-2,2,3a-trimethyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
CID 71625246
1-[(2R,3R,5R)-3-amino-3-(3-fluoroprop-1-ynyl)-4-hydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 167374885
[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate
CID 155765083
1-[(2R,3R,4S,5S)-3-hydroxy-5-(1-hydroxyethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70848340
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-2-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 138722029
1-[(2R,3S,5S)-5-[(1S)-1-hydroxyethyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 174080126
(2R)-2-[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-hydroxyacetamide
CID 10544171
1-(3,4-dihydroxy-3-methyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione
CID 123907819
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrimidine-2,4-dione
CID 134454244

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione (CID 123334680) is 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione is CC(O)C1OC(n2ccc(=O)[nH]c2=O)C2(C)OC(C)(C)OC12.
What is the InChIKey of 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione?
The InChIKey is NCNGSWUUXPBEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-7(17)9-10-14(4,22-13(2,3)21-10)11(20-9)16-6-5-8(18)15-12(16)19/h5-7,9-11,17H,1-4H3,(H,15,18,19).
What are the key properties of 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione?
1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione has a molecular weight of 312.32 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 123334680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).