3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

C14H12N2O2S — CID 143665036

IUPAC3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2s1
InChIInChI=1S/C14H12N2O2S/c1-9-7-11-12(19-9)13(17)16(14(18)15-11)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18)
InChIKeyITMAYJAMFSHCBY-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.11
Rot. Bonds2

About 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 143665036) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID143665036
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2s1
InChIInChI=1S/C14H12N2O2S/c1-9-7-11-12(19-9)13(17)16(14(18)15-11)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18)
InChIKeyITMAYJAMFSHCBY-UHFFFAOYSA-N
XLogP2.11
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686605
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one
CID 139045708
1,3-dibenzyl-6-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39334592
6-(chloromethyl)-3-ethyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 170981691
3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82342140
1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
CID 178075733
3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 45030945
5-amino-3-benzyl-1H-pyrimidine-2,4-dione
CID 15659209
6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 23259557
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 45030947

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 143665036) is 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is Cc1cc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2s1.
What is the InChIKey of 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ITMAYJAMFSHCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-7-11-12(19-9)13(17)16(14(18)15-11)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18).
What are the key properties of 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 272.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 143665036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).