7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine

C17H19N5OS — CID 171691654

IUPAC7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCCC(COc4ncccn4)C3)ncnc12
InChIInChI=1S/C17H19N5OS/c1-12-10-24-15-14(12)20-11-21-16(15)22-7-2-4-13(8-22)9-23-17-18-5-3-6-19-17/h3,5-6,10-11,13H,2,4,7-9H2,1H3
InChIKeyQHAIWWFNNQMZOV-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.09
Rot. Bonds4

About 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine

7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 171691654) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID171691654
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCCC(COc4ncccn4)C3)ncnc12
InChIInChI=1S/C17H19N5OS/c1-12-10-24-15-14(12)20-11-21-16(15)22-7-2-4-13(8-22)9-23-17-18-5-3-6-19-17/h3,5-6,10-11,13H,2,4,7-9H2,1H3
InChIKeyQHAIWWFNNQMZOV-UHFFFAOYSA-N
XLogP3.09
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine (CID 171691654) is 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine is Cc1csc2c(N3CCCC(COc4ncccn4)C3)ncnc12.
What is the InChIKey of 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is QHAIWWFNNQMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-10-24-15-14(12)20-11-21-16(15)22-7-2-4-13(8-22)9-23-17-18-5-3-6-19-17/h3,5-6,10-11,13H,2,4,7-9H2,1H3.
What are the key properties of 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 341.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 171691654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).