6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine

C17H13N5S — CID 45274324

IUPAC6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cnccn2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C17H13N5S/c18-15-13-9-12(8-11-4-2-1-3-5-11)23-17(13)22-16(21-15)14-10-19-6-7-20-14/h1-7,9-10H,8H2,(H2,18,21,22)
InChIKeyWOPLPHFZOGXYJK-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.32
Rot. Bonds3

About 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274324) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID45274324
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC Name6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cnccn2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C17H13N5S/c18-15-13-9-12(8-11-4-2-1-3-5-11)23-17(13)22-16(21-15)14-10-19-6-7-20-14/h1-7,9-10H,8H2,(H2,18,21,22)
InChIKeyWOPLPHFZOGXYJK-UHFFFAOYSA-N
XLogP3.32
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
Pyridothieno[3,2-d]pyrimidine deriv. 75
CID 5328423
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Thienopyrimidine deriv. 82
CID 6540015
Thienopyrimidine deriv. 83
CID 6540016
Ikk-IN-3
CID 10215156
2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 45274324) is 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2cnccn2)nc2sc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WOPLPHFZOGXYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c18-15-13-9-12(8-11-4-2-1-3-5-11)23-17(13)22-16(21-15)14-10-19-6-7-20-14/h1-7,9-10H,8H2,(H2,18,21,22).
What are the key properties of 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).