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

C16H21N7S — CID 122178545

IUPAC2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C16H21N7S/c1-2-11-9-13(22-21-11)19-15-14-12(5-8-24-14)18-16(20-15)23-6-3-10(17)4-7-23/h5,8-10H,2-4,6-7,17H2,1H3,(H2,18,19,20,21,22)
InChIKeyJCYDKLPWPCRSFA-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.65
Rot. Bonds4

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

2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 122178545) has the molecular formula C16H21N7S and a molecular weight of 343.46 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID122178545
Molecular FormulaC16H21N7S
Molecular Weight343.46 g/mol
Exact Mass343.16
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C16H21N7S/c1-2-11-9-13(22-21-11)19-15-14-12(5-8-24-14)18-16(20-15)23-6-3-10(17)4-7-23/h5,8-10H,2-4,6-7,17H2,1H3,(H2,18,19,20,21,22)
InChIKeyJCYDKLPWPCRSFA-UHFFFAOYSA-N
XLogP2.65
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.65
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-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 122178545) is 2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is CCc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JCYDKLPWPCRSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7S/c1-2-11-9-13(22-21-11)19-15-14-12(5-8-24-14)18-16(20-15)23-6-3-10(17)4-7-23/h5,8-10H,2-4,6-7,17H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 343.46 g/mol, XLogP of 2.65, 4 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-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122178545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).