6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine

C15H22N4S — CID 6484476

IUPAC6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(CC)CC3)nc(C)nc2s1
InChIInChI=1S/C15H22N4S/c1-4-12-10-13-14(16-11(3)17-15(13)20-12)19-8-6-18(5-2)7-9-19/h10H,4-9H2,1-3H3
InChIKeyOSDFUCMTXXZGJA-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.70
Rot. Bonds3

About 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine

6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine (PubChem CID 6484476) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine
PubChem CID6484476
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(CC)CC3)nc(C)nc2s1
InChIInChI=1S/C15H22N4S/c1-4-12-10-13-14(16-11(3)17-15(13)20-12)19-8-6-18(5-2)7-9-19/h10H,4-9H2,1-3H3
InChIKeyOSDFUCMTXXZGJA-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine (CID 6484476) is 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(CC)CC3)nc(C)nc2s1.
What is the InChIKey of 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine?
The InChIKey is OSDFUCMTXXZGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-12-10-13-14(16-11(3)17-15(13)20-12)19-8-6-18(5-2)7-9-19/h10H,4-9H2,1-3H3.
What are the key properties of 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine?
6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine has a molecular weight of 290.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(4-ethylpiperazin-1-yl)-2-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 6484476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).