3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione

C19H22N2O2S — CID 22258015

IUPAC3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccccc1Cc1cc2c(=O)n(C)c(=O)n(CC(C)C)c2s1
InChIInChI=1S/C19H22N2O2S/c1-12(2)11-21-18-16(17(22)20(4)19(21)23)10-15(24-18)9-14-8-6-5-7-13(14)3/h5-8,10,12H,9,11H2,1-4H3
InChIKeyOUBOJHIDXAGLRY-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.32
Rot. Bonds4

About 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione

3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 22258015) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID22258015
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccccc1Cc1cc2c(=O)n(C)c(=O)n(CC(C)C)c2s1
InChIInChI=1S/C19H22N2O2S/c1-12(2)11-21-18-16(17(22)20(4)19(21)23)10-15(24-18)9-14-8-6-5-7-13(14)3/h5-8,10,12H,9,11H2,1-4H3
InChIKeyOUBOJHIDXAGLRY-UHFFFAOYSA-N
XLogP3.32
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 22258015) is 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione is Cc1ccccc1Cc1cc2c(=O)n(C)c(=O)n(CC(C)C)c2s1.
What is the InChIKey of 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OUBOJHIDXAGLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-12(2)11-21-18-16(17(22)20(4)19(21)23)10-15(24-18)9-14-8-6-5-7-13(14)3/h5-8,10,12H,9,11H2,1-4H3.
What are the key properties of 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 342.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(2-methylphenyl)methyl]-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 22258015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).