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

C14H20N4OS — CID 102687385

IUPAC2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
SMILESCc1csc2c(N3CCC(OCCN)CC3)ncnc12
InChIInChI=1S/C14H20N4OS/c1-10-8-20-13-12(10)16-9-17-14(13)18-5-2-11(3-6-18)19-7-4-15/h8-9,11H,2-7,15H2,1H3
InChIKeyDPZVWXFVLPOGAM-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.94
Rot. Bonds4

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

2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine (PubChem CID 102687385) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
PubChem CID102687385
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
SMILESCc1csc2c(N3CCC(OCCN)CC3)ncnc12
InChIInChI=1S/C14H20N4OS/c1-10-8-20-13-12(10)16-9-17-14(13)18-5-2-11(3-6-18)19-7-4-15/h8-9,11H,2-7,15H2,1H3
InChIKeyDPZVWXFVLPOGAM-UHFFFAOYSA-N
XLogP1.94
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.94
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]oxyethanamine?
The IUPAC name of 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine (CID 102687385) is 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine is Cc1csc2c(N3CCC(OCCN)CC3)ncnc12.
What is the InChIKey of 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine?
The InChIKey is DPZVWXFVLPOGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-8-20-13-12(10)16-9-17-14(13)18-5-2-11(3-6-18)19-7-4-15/h8-9,11H,2-7,15H2,1H3.
What are the key properties of 2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine?
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine has a molecular weight of 292.41 g/mol, XLogP of 1.94, 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]oxyethanamine is sourced from PubChem (CID 102687385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).