2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine

C23H22N4S — CID 140658148

IUPAC2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Cc2cc(-c3nc(NC4CCCC4)c4sccc4n3)ccn2)cc1
InChIInChI=1S/C23H22N4S/c1-2-6-16(7-3-1)14-19-15-17(10-12-24-19)22-26-20-11-13-28-21(20)23(27-22)25-18-8-4-5-9-18/h1-3,6-7,10-13,15,18H,4-5,8-9,14H2,(H,25,26,27)
InChIKeyWZOGUERLRBSAJJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.70
Rot. Bonds5

About 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine

2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 140658148) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine
PubChem CID140658148
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Cc2cc(-c3nc(NC4CCCC4)c4sccc4n3)ccn2)cc1
InChIInChI=1S/C23H22N4S/c1-2-6-16(7-3-1)14-19-15-17(10-12-24-19)22-26-20-11-13-28-21(20)23(27-22)25-18-8-4-5-9-18/h1-3,6-7,10-13,15,18H,4-5,8-9,14H2,(H,25,26,27)
InChIKeyWZOGUERLRBSAJJ-UHFFFAOYSA-N
XLogP5.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine (CID 140658148) is 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine is c1ccc(Cc2cc(-c3nc(NC4CCCC4)c4sccc4n3)ccn2)cc1.
What is the InChIKey of 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WZOGUERLRBSAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-2-6-16(7-3-1)14-19-15-17(10-12-24-19)22-26-20-11-13-28-21(20)23(27-22)25-18-8-4-5-9-18/h1-3,6-7,10-13,15,18H,4-5,8-9,14H2,(H,25,26,27).
What are the key properties of 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine?
2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 386.52 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-pyridinyl)-N-cyclopentylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 140658148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).