5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine

C20H19N5S — CID 18460352

IUPAC5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cnccn3)nc(NCCc3ccccc3)c2c1C
InChIInChI=1S/C20H19N5S/c1-13-14(2)26-20-17(13)19(23-9-8-15-6-4-3-5-7-15)24-18(25-20)16-12-21-10-11-22-16/h3-7,10-12H,8-9H2,1-2H3,(H,23,24,25)
InChIKeySUQSKGDUIAFNFG-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.42
Rot. Bonds5

About 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460352) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID18460352
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cnccn3)nc(NCCc3ccccc3)c2c1C
InChIInChI=1S/C20H19N5S/c1-13-14(2)26-20-17(13)19(23-9-8-15-6-4-3-5-7-15)24-18(25-20)16-12-21-10-11-22-16/h3-7,10-12H,8-9H2,1-2H3,(H,23,24,25)
InChIKeySUQSKGDUIAFNFG-UHFFFAOYSA-N
XLogP4.42
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 18460352) is 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3cnccn3)nc(NCCc3ccccc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SUQSKGDUIAFNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-13-14(2)26-20-17(13)19(23-9-8-15-6-4-3-5-7-15)24-18(25-20)16-12-21-10-11-22-16/h3-7,10-12H,8-9H2,1-2H3,(H,23,24,25).
What are the key properties of 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).