4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine

C19H22N4S — CID 853235

IUPAC4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3sc(C)c(-c4ccccc4)c23)CC1
InChIInChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-17-16(15-7-5-4-6-8-15)14(2)24-19(17)21-13-20-18/h4-8,13H,3,9-12H2,1-2H3
InChIKeyUSQKCEJENZDLKI-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.81
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine

4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 853235) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
PubChem CID853235
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3sc(C)c(-c4ccccc4)c23)CC1
InChIInChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-17-16(15-7-5-4-6-8-15)14(2)24-19(17)21-13-20-18/h4-8,13H,3,9-12H2,1-2H3
InChIKeyUSQKCEJENZDLKI-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine (CID 853235) is 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine is CCN1CCN(c2ncnc3sc(C)c(-c4ccccc4)c23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is USQKCEJENZDLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-17-16(15-7-5-4-6-8-15)14(2)24-19(17)21-13-20-18/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 338.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 853235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).