[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone

C20H28N4OS — CID 3532339

IUPAC[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC(C)C2)sc2ncnc(N3CCCCC3C)c12
InChIInChI=1S/C20H28N4OS/c1-13-7-6-9-23(11-13)20(25)17-15(3)16-18(21-12-22-19(16)26-17)24-10-5-4-8-14(24)2/h12-14H,4-11H2,1-3H3
InChIKeyZKHHTEBPBYYVQS-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.25
Rot. Bonds2

About [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone

[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 3532339) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID3532339
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC(C)C2)sc2ncnc(N3CCCCC3C)c12
InChIInChI=1S/C20H28N4OS/c1-13-7-6-9-23(11-13)20(25)17-15(3)16-18(21-12-22-19(16)26-17)24-10-5-4-8-14(24)2/h12-14H,4-11H2,1-3H3
InChIKeyZKHHTEBPBYYVQS-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone (CID 3532339) is [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCCC(C)C2)sc2ncnc(N3CCCCC3C)c12.
What is the InChIKey of [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ZKHHTEBPBYYVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-13-7-6-9-23(11-13)20(25)17-15(3)16-18(21-12-22-19(16)26-17)24-10-5-4-8-14(24)2/h12-14H,4-11H2,1-3H3.
What are the key properties of [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 372.54 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3532339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).