2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine

C18H16N6S — CID 68605859

IUPAC2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Cc1cc2c(N)nc(-c3cnccn3)nc2s1)c1ccccn1
InChIInChI=1S/C18H16N6S/c1-11(14-4-2-3-5-21-14)8-12-9-13-16(19)23-17(24-18(13)25-12)15-10-20-6-7-22-15/h2-7,9-11H,8H2,1H3,(H2,19,23,24)
InChIKeySZFVOGJUQNSHCL-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.47
Rot. Bonds4

About 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine

2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 68605859) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID68605859
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Cc1cc2c(N)nc(-c3cnccn3)nc2s1)c1ccccn1
InChIInChI=1S/C18H16N6S/c1-11(14-4-2-3-5-21-14)8-12-9-13-16(19)23-17(24-18(13)25-12)15-10-20-6-7-22-15/h2-7,9-11H,8H2,1H3,(H2,19,23,24)
InChIKeySZFVOGJUQNSHCL-UHFFFAOYSA-N
XLogP3.47
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 68605859) is 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine is CC(Cc1cc2c(N)nc(-c3cnccn3)nc2s1)c1ccccn1.
What is the InChIKey of 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SZFVOGJUQNSHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c1-11(14-4-2-3-5-21-14)8-12-9-13-16(19)23-17(24-18(13)25-12)15-10-20-6-7-22-15/h2-7,9-11H,8H2,1H3,(H2,19,23,24).
What are the key properties of 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68605859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).