3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione

C10H12N2O3 — CID 101027099

IUPAC3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1CO[C@@H](n2ccc(=O)n(C)c2=O)C1
InChIInChI=1S/C10H12N2O3/c1-7-5-9(15-6-7)12-4-3-8(13)11(2)10(12)14/h3-4,9H,1,5-6H2,2H3/t9-/m1/s1
InChIKeyBUHWIENZNFMCNU-SECBINFHSA-N
MW208.22 g/mol
LogP0.02
Rot. Bonds1

About 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione

3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 101027099) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID101027099
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1CO[C@@H](n2ccc(=O)n(C)c2=O)C1
InChIInChI=1S/C10H12N2O3/c1-7-5-9(15-6-7)12-4-3-8(13)11(2)10(12)14/h3-4,9H,1,5-6H2,2H3/t9-/m1/s1
InChIKeyBUHWIENZNFMCNU-SECBINFHSA-N
XLogP0.02
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione (CID 101027099) is 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione is C=C1CO[C@@H](n2ccc(=O)n(C)c2=O)C1.
What is the InChIKey of 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is BUHWIENZNFMCNU-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-5-9(15-6-7)12-4-3-8(13)11(2)10(12)14/h3-4,9H,1,5-6H2,2H3/t9-/m1/s1.
What are the key properties of 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2R)-4-methylideneoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 101027099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).