2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

C14H17N3O3S — CID 102685980

IUPAC2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESCc1csc2c(N3CCC(OCC(=O)O)CC3)ncnc12
InChIInChI=1S/C14H17N3O3S/c1-9-7-21-13-12(9)15-8-16-14(13)17-4-2-10(3-5-17)20-6-11(18)19/h7-8,10H,2-6H2,1H3,(H,18,19)
InChIKeyAOGQMCHFWPDMOQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.07
Rot. Bonds4

About 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 102685980) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
PubChem CID102685980
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESCc1csc2c(N3CCC(OCC(=O)O)CC3)ncnc12
InChIInChI=1S/C14H17N3O3S/c1-9-7-21-13-12(9)15-8-16-14(13)17-4-2-10(3-5-17)20-6-11(18)19/h7-8,10H,2-6H2,1H3,(H,18,19)
InChIKeyAOGQMCHFWPDMOQ-UHFFFAOYSA-N
XLogP2.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (CID 102685980) is 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is Cc1csc2c(N3CCC(OCC(=O)O)CC3)ncnc12.
What is the InChIKey of 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is AOGQMCHFWPDMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-7-21-13-12(9)15-8-16-14(13)17-4-2-10(3-5-17)20-6-11(18)19/h7-8,10H,2-6H2,1H3,(H,18,19).
What are the key properties of 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 307.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 102685980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).