2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

C15H19N7S — CID 122178544

IUPAC2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C15H19N7S/c1-9-8-12(21-20-9)18-14-13-11(4-7-23-13)17-15(19-14)22-5-2-10(16)3-6-22/h4,7-8,10H,2-3,5-6,16H2,1H3,(H2,17,18,19,20,21)
InChIKeyQDORBFXTDCJSLZ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.39
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 122178544) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID122178544
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C15H19N7S/c1-9-8-12(21-20-9)18-14-13-11(4-7-23-13)17-15(19-14)22-5-2-10(16)3-6-22/h4,7-8,10H,2-3,5-6,16H2,1H3,(H2,17,18,19,20,21)
InChIKeyQDORBFXTDCJSLZ-UHFFFAOYSA-N
XLogP2.39
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 122178544) is 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is Cc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QDORBFXTDCJSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S/c1-9-8-12(21-20-9)18-14-13-11(4-7-23-13)17-15(19-14)22-5-2-10(16)3-6-22/h4,7-8,10H,2-3,5-6,16H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 329.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122178544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).