1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione

C12H16N2O5 — CID 146168954

IUPAC1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn([C@@H]2OC[C@H]3OC(C)(C)O[C@@H]23)c1=O
InChIInChI=1S/C12H16N2O5/c1-12(2)18-7-6-17-10(9(7)19-12)14-5-4-8(15)13(3)11(14)16/h4-5,7,9-10H,6H2,1-3H3/t7-,9-,10-/m1/s1
InChIKeyBDLZROUKTBEKSC-SZEHBUNVSA-N
MW268.27 g/mol
LogP-0.40
Rot. Bonds1

About 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione

1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione (PubChem CID 146168954) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione
PubChem CID146168954
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn([C@@H]2OC[C@H]3OC(C)(C)O[C@@H]23)c1=O
InChIInChI=1S/C12H16N2O5/c1-12(2)18-7-6-17-10(9(7)19-12)14-5-4-8(15)13(3)11(14)16/h4-5,7,9-10H,6H2,1-3H3/t7-,9-,10-/m1/s1
InChIKeyBDLZROUKTBEKSC-SZEHBUNVSA-N
XLogP-0.40
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3aS,6S,7R,7aR)-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione
CID 712440
[(3aR,6S,7S,7aR)-6-(4-benzamido-2-oxopyrimidin-1-yl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 52916449
1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-butylpyrimidine-2,4-dione
CID 10569140
3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 101027099
9-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,6-dichloropurine
CID 87510622
1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione
CID 123579227
1-[(3aR,6S,7S,7aS)-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-5-fluoropyrimidine-2,4-dione
CID 52916335
1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione
CID 174181276
1-[(3aR,6S,7aS)-2,2-dimethyl-7-methylidene-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione
CID 52915231
N-[1-[(1S,3R,7R,8R,10R)-5,5-dimethyl-13-phenyl-4,6,9,12,14-pentaoxatricyclo[8.4.0.03,7]tetradecan-8-yl]-2-oxopyrimidin-4-yl]benzamide
CID 58940360
(3aS,4R)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 130231338
9-[(4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine
CID 173172283

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione (CID 146168954) is 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)ccn([C@@H]2OC[C@H]3OC(C)(C)O[C@@H]23)c1=O.
What is the InChIKey of 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione?
The InChIKey is BDLZROUKTBEKSC-SZEHBUNVSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2)18-7-6-17-10(9(7)19-12)14-5-4-8(15)13(3)11(14)16/h4-5,7,9-10H,6H2,1-3H3/t7-,9-,10-/m1/s1.
What are the key properties of 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione?
1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 146168954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).