6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one

C19H22N4OS — CID 18126730

IUPAC6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CN3CCN(c4ccccc4)CC3)cnc2s1
InChIInChI=1S/C19H22N4OS/c1-2-16-12-17-18(25-16)20-13-23(19(17)24)14-21-8-10-22(11-9-21)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3
InChIKeyFHVIYLCJMRCXCQ-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.80
Rot. Bonds4

About 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 18126730) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID18126730
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CN3CCN(c4ccccc4)CC3)cnc2s1
InChIInChI=1S/C19H22N4OS/c1-2-16-12-17-18(25-16)20-13-23(19(17)24)14-21-8-10-22(11-9-21)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3
InChIKeyFHVIYLCJMRCXCQ-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 18126730) is 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(CN3CCN(c4ccccc4)CC3)cnc2s1.
What is the InChIKey of 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FHVIYLCJMRCXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-2-16-12-17-18(25-16)20-13-23(19(17)24)14-21-8-10-22(11-9-21)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3.
What are the key properties of 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 354.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18126730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).