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

C16H20N6S — CID 133403957

IUPAC5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESCCc1nc(N2CCC(c3cc(N)n[nH]3)CC2)c2ccsc2n1
InChIInChI=1S/C16H20N6S/c1-2-14-18-15(11-5-8-23-16(11)19-14)22-6-3-10(4-7-22)12-9-13(17)21-20-12/h5,8-10H,2-4,6-7H2,1H3,(H3,17,20,21)
InChIKeySEKQGXMAJNEOTR-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.94
Rot. Bonds3

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

5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 133403957) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is 5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID133403957
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESCCc1nc(N2CCC(c3cc(N)n[nH]3)CC2)c2ccsc2n1
InChIInChI=1S/C16H20N6S/c1-2-14-18-15(11-5-8-23-16(11)19-14)22-6-3-10(4-7-22)12-9-13(17)21-20-12/h5,8-10H,2-4,6-7H2,1H3,(H3,17,20,21)
InChIKeySEKQGXMAJNEOTR-UHFFFAOYSA-N
XLogP2.94
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine (CID 133403957) is 5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine is CCc1nc(N2CCC(c3cc(N)n[nH]3)CC2)c2ccsc2n1.
What is the InChIKey of 5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is SEKQGXMAJNEOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-2-14-18-15(11-5-8-23-16(11)19-14)22-6-3-10(4-7-22)12-9-13(17)21-20-12/h5,8-10H,2-4,6-7H2,1H3,(H3,17,20,21).
What are the key properties of 5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 328.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 133403957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).