4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine

C22H24N6S — CID 123930965

IUPAC4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine
SMILESNCC(C1CCCC1)n1cc(-c2nc(Nc3ccccc3)nc3ccsc23)cn1
InChIInChI=1S/C22H24N6S/c23-12-19(15-6-4-5-7-15)28-14-16(13-24-28)20-21-18(10-11-29-21)26-22(27-20)25-17-8-2-1-3-9-17/h1-3,8-11,13-15,19H,4-7,12,23H2,(H,25,26,27)
InChIKeyVXHBZVYXPIBGRU-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.99
Rot. Bonds6

About 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine

4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 123930965) has the molecular formula C22H24N6S and a molecular weight of 404.54 g/mol. Its IUPAC name is 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine
PubChem CID123930965
Molecular FormulaC22H24N6S
Molecular Weight404.54 g/mol
Exact Mass404.18
IUPAC Name4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine
SMILESNCC(C1CCCC1)n1cc(-c2nc(Nc3ccccc3)nc3ccsc23)cn1
InChIInChI=1S/C22H24N6S/c23-12-19(15-6-4-5-7-15)28-14-16(13-24-28)20-21-18(10-11-29-21)26-22(27-20)25-17-8-2-1-3-9-17/h1-3,8-11,13-15,19H,4-7,12,23H2,(H,25,26,27)
InChIKeyVXHBZVYXPIBGRU-UHFFFAOYSA-N
XLogP4.99
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine (CID 123930965) is 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine is NCC(C1CCCC1)n1cc(-c2nc(Nc3ccccc3)nc3ccsc23)cn1.
What is the InChIKey of 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is VXHBZVYXPIBGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6S/c23-12-19(15-6-4-5-7-15)28-14-16(13-24-28)20-21-18(10-11-29-21)26-22(27-20)25-17-8-2-1-3-9-17/h1-3,8-11,13-15,19H,4-7,12,23H2,(H,25,26,27).
What are the key properties of 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine?
4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 404.54 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 123930965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).