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

C17H23N7S — CID 122178546

IUPAC2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCCc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C17H23N7S/c1-2-3-12-10-14(23-22-12)20-16-15-13(6-9-25-15)19-17(21-16)24-7-4-11(18)5-8-24/h6,9-11H,2-5,7-8,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyHLDNRRBRAORSQF-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.04
Rot. Bonds5

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

2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 122178546) has the molecular formula C17H23N7S and a molecular weight of 357.49 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID122178546
Molecular FormulaC17H23N7S
Molecular Weight357.49 g/mol
Exact Mass357.17
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCCc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C17H23N7S/c1-2-3-12-10-14(23-22-12)20-16-15-13(6-9-25-15)19-17(21-16)24-7-4-11(18)5-8-24/h6,9-11H,2-5,7-8,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyHLDNRRBRAORSQF-UHFFFAOYSA-N
XLogP3.04
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.04
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-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 122178546) is 2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is CCCc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is HLDNRRBRAORSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7S/c1-2-3-12-10-14(23-22-12)20-16-15-13(6-9-25-15)19-17(21-16)24-7-4-11(18)5-8-24/h6,9-11H,2-5,7-8,18H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 357.49 g/mol, XLogP of 3.04, 5 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-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122178546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).