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

C18H15N5OS — CID 31980652

IUPAC5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3cccc(Oc4cnccn4)c3)c2c1C
InChIInChI=1S/C18H15N5OS/c1-11-12(2)25-18-16(11)17(21-10-22-18)23-13-4-3-5-14(8-13)24-15-9-19-6-7-20-15/h3-10H,1-2H3,(H,21,22,23)
InChIKeyZUINORYCXBMFNE-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.63
Rot. Bonds4

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

5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 31980652) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID31980652
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3cccc(Oc4cnccn4)c3)c2c1C
InChIInChI=1S/C18H15N5OS/c1-11-12(2)25-18-16(11)17(21-10-22-18)23-13-4-3-5-14(8-13)24-15-9-19-6-7-20-15/h3-10H,1-2H3,(H,21,22,23)
InChIKeyZUINORYCXBMFNE-UHFFFAOYSA-N
XLogP4.63
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 31980652) is 5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3cccc(Oc4cnccn4)c3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZUINORYCXBMFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-11-12(2)25-18-16(11)17(21-10-22-18)23-13-4-3-5-14(8-13)24-15-9-19-6-7-20-15/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of 5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 349.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 31980652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).