3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione

C11H12N2O2S — CID 122239201

IUPAC3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(-c2ccsc2)[nH]c1=O
InChIInChI=1S/C11H12N2O2S/c1-7(2)13-10(14)5-9(12-11(13)15)8-3-4-16-6-8/h3-7H,1-2H3,(H,12,15)
InChIKeyKULDWWQINLJDJS-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.85
Rot. Bonds2

About 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione

3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione (PubChem CID 122239201) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione
PubChem CID122239201
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(-c2ccsc2)[nH]c1=O
InChIInChI=1S/C11H12N2O2S/c1-7(2)13-10(14)5-9(12-11(13)15)8-3-4-16-6-8/h3-7H,1-2H3,(H,12,15)
InChIKeyKULDWWQINLJDJS-UHFFFAOYSA-N
XLogP1.85
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione (CID 122239201) is 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(-c2ccsc2)[nH]c1=O.
What is the InChIKey of 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione?
The InChIKey is KULDWWQINLJDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(2)13-10(14)5-9(12-11(13)15)8-3-4-16-6-8/h3-7H,1-2H3,(H,12,15).
What are the key properties of 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione?
3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione has a molecular weight of 236.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).