5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine

C17H22N6S — CID 138029960

IUPAC5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESCCc1cc2c(N3CCC(c4cc(N)n[nH]4)CC3)nc(C)nc2s1
InChIInChI=1S/C17H22N6S/c1-3-12-8-13-16(19-10(2)20-17(13)24-12)23-6-4-11(5-7-23)14-9-15(18)22-21-14/h8-9,11H,3-7H2,1-2H3,(H3,18,21,22)
InChIKeyWJCRXXUTQUXJMT-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.25
Rot. Bonds3

About 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine

5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 138029960) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID138029960
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESCCc1cc2c(N3CCC(c4cc(N)n[nH]4)CC3)nc(C)nc2s1
InChIInChI=1S/C17H22N6S/c1-3-12-8-13-16(19-10(2)20-17(13)24-12)23-6-4-11(5-7-23)14-9-15(18)22-21-14/h8-9,11H,3-7H2,1-2H3,(H3,18,21,22)
InChIKeyWJCRXXUTQUXJMT-UHFFFAOYSA-N
XLogP3.25
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine (CID 138029960) is 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine is CCc1cc2c(N3CCC(c4cc(N)n[nH]4)CC3)nc(C)nc2s1.
What is the InChIKey of 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is WJCRXXUTQUXJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-3-12-8-13-16(19-10(2)20-17(13)24-12)23-6-4-11(5-7-23)14-9-15(18)22-21-14/h8-9,11H,3-7H2,1-2H3,(H3,18,21,22).
What are the key properties of 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 342.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 138029960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).