5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione

C20H20N4O2S — CID 155541364

IUPAC5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1[nH]cnc1Cn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21
InChIInChI=1S/C20H20N4O2S/c1-13-11-27-19-17(13)18(25)23(9-8-15-6-4-3-5-7-15)20(26)24(19)10-16-14(2)21-12-22-16/h3-7,11-12H,8-10H2,1-2H3,(H,21,22)
InChIKeyLUSPKHAKXCBHNO-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.86
Rot. Bonds5

About 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione

5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 155541364) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155541364
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1[nH]cnc1Cn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21
InChIInChI=1S/C20H20N4O2S/c1-13-11-27-19-17(13)18(25)23(9-8-15-6-4-3-5-7-15)20(26)24(19)10-16-14(2)21-12-22-16/h3-7,11-12H,8-10H2,1-2H3,(H,21,22)
InChIKeyLUSPKHAKXCBHNO-UHFFFAOYSA-N
XLogP2.86
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 155541364) is 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is Cc1[nH]cnc1Cn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21.
What is the InChIKey of 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LUSPKHAKXCBHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-11-27-19-17(13)18(25)23(9-8-15-6-4-3-5-7-15)20(26)24(19)10-16-14(2)21-12-22-16/h3-7,11-12H,8-10H2,1-2H3,(H,21,22).
What are the key properties of 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 380.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155541364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).