4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine

C19H22N4OS — CID 1186753

IUPAC4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c23)CC1
InChIInChI=1S/C19H22N4OS/c1-3-22-8-10-23(11-9-22)18-17-16(12-25-19(17)21-13-20-18)14-4-6-15(24-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDGMLIXDNZDHEEI-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.51
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine

4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (PubChem CID 1186753) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
PubChem CID1186753
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c23)CC1
InChIInChI=1S/C19H22N4OS/c1-3-22-8-10-23(11-9-22)18-17-16(12-25-19(17)21-13-20-18)14-4-6-15(24-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDGMLIXDNZDHEEI-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (CID 1186753) is 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is CCN1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is DGMLIXDNZDHEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-3-22-8-10-23(11-9-22)18-17-16(12-25-19(17)21-13-20-18)14-4-6-15(24-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 354.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 1186753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).