4,6-diphenylthieno[3,2-d]pyrimidin-2-amine

C18H13N3S — CID 145380929

IUPAC4,6-diphenylthieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C18H13N3S/c19-18-20-14-11-15(12-7-3-1-4-8-12)22-17(14)16(21-18)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21)
InChIKeyYGXDLIDLIRFDBB-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.61
Rot. Bonds2

About 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine

4,6-diphenylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 145380929) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-diphenylthieno[3,2-d]pyrimidin-2-amine
PubChem CID145380929
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC Name4,6-diphenylthieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C18H13N3S/c19-18-20-14-11-15(12-7-3-1-4-8-12)22-17(14)16(21-18)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21)
InChIKeyYGXDLIDLIRFDBB-UHFFFAOYSA-N
XLogP4.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine (CID 145380929) is 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine is Nc1nc(-c2ccccc2)c2sc(-c3ccccc3)cc2n1.
What is the InChIKey of 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is YGXDLIDLIRFDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S/c19-18-20-14-11-15(12-7-3-1-4-8-12)22-17(14)16(21-18)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21).
What are the key properties of 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine?
4,6-diphenylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 303.39 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 145380929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).