6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride

C15H24Cl2N4S — CID 45488448

IUPAC6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
SMILESCCc1cc2c(NCCN3CCCCC3)ncnc2s1.Cl.Cl
InChIInChI=1S/C15H22N4S.2ClH/c1-2-12-10-13-14(17-11-18-15(13)20-12)16-6-9-19-7-4-3-5-8-19;;/h10-11H,2-9H2,1H3,(H,16,17,18);2*1H
InChIKeyXKRXYFSMDWJDIK-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.00
Rot. Bonds5

About 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride

6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride (PubChem CID 45488448) has the molecular formula C15H24Cl2N4S and a molecular weight of 363.36 g/mol. Its IUPAC name is 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
PubChem CID45488448
Molecular FormulaC15H24Cl2N4S
Molecular Weight363.36 g/mol
Exact Mass362.11
IUPAC Name6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
SMILESCCc1cc2c(NCCN3CCCCC3)ncnc2s1.Cl.Cl
InChIInChI=1S/C15H22N4S.2ClH/c1-2-12-10-13-14(17-11-18-15(13)20-12)16-6-9-19-7-4-3-5-8-19;;/h10-11H,2-9H2,1H3,(H,16,17,18);2*1H
InChIKeyXKRXYFSMDWJDIK-UHFFFAOYSA-N
XLogP4.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride (CID 45488448) is 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride is CCc1cc2c(NCCN3CCCCC3)ncnc2s1.Cl.Cl.
What is the InChIKey of 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?
The InChIKey is XKRXYFSMDWJDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S.2ClH/c1-2-12-10-13-14(17-11-18-15(13)20-12)16-6-9-19-7-4-3-5-8-19;;/h10-11H,2-9H2,1H3,(H,16,17,18);2*1H.
What are the key properties of 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?
6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride has a molecular weight of 363.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 45488448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).