6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C15H21N3S — CID 16627269

IUPAC6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(C)CC3)nc(C)nc2s1
InChIInChI=1S/C15H21N3S/c1-4-12-9-13-14(16-11(3)17-15(13)19-12)18-7-5-10(2)6-8-18/h9-10H,4-8H2,1-3H3
InChIKeyHQBXNXMZVXHVNQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.80
Rot. Bonds2

About 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 16627269) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID16627269
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(C)CC3)nc(C)nc2s1
InChIInChI=1S/C15H21N3S/c1-4-12-9-13-14(16-11(3)17-15(13)19-12)18-7-5-10(2)6-8-18/h9-10H,4-8H2,1-3H3
InChIKeyHQBXNXMZVXHVNQ-UHFFFAOYSA-N
XLogP3.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 16627269) is 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC(C)CC3)nc(C)nc2s1.
What is the InChIKey of 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is HQBXNXMZVXHVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-12-9-13-14(16-11(3)17-15(13)19-12)18-7-5-10(2)6-8-18/h9-10H,4-8H2,1-3H3.
What are the key properties of 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 275.42 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 16627269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).