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

C19H18N4O2S — CID 155525648

IUPAC1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1cnc[nH]1
InChIInChI=1S/C19H18N4O2S/c1-13-11-26-18-16(13)17(24)22(8-7-14-5-3-2-4-6-14)19(25)23(18)10-15-9-20-12-21-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,21)
InChIKeyHDKVQZPVWAAQSA-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.55
Rot. Bonds5

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

1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 155525648) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155525648
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1cnc[nH]1
InChIInChI=1S/C19H18N4O2S/c1-13-11-26-18-16(13)17(24)22(8-7-14-5-3-2-4-6-14)19(25)23(18)10-15-9-20-12-21-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,21)
InChIKeyHDKVQZPVWAAQSA-UHFFFAOYSA-N
XLogP2.55
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 155525648) is 1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HDKVQZPVWAAQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-11-26-18-16(13)17(24)22(8-7-14-5-3-2-4-6-14)19(25)23(18)10-15-9-20-12-21-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,21).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 366.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155525648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).