3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one

C13H11N3OS — CID 793586

IUPAC3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2cc(-c3ccccc3)sc2c(=O)n1N
InChIInChI=1S/C13H11N3OS/c1-8-15-10-7-11(9-5-3-2-4-6-9)18-12(10)13(17)16(8)14/h2-7H,14H2,1H3
InChIKeyYHVCBUHGIBCVTQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.15
Rot. Bonds1

About 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one

3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 793586) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID793586
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2cc(-c3ccccc3)sc2c(=O)n1N
InChIInChI=1S/C13H11N3OS/c1-8-15-10-7-11(9-5-3-2-4-6-9)18-12(10)13(17)16(8)14/h2-7H,14H2,1H3
InChIKeyYHVCBUHGIBCVTQ-UHFFFAOYSA-N
XLogP2.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one (CID 793586) is 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one is Cc1nc2cc(-c3ccccc3)sc2c(=O)n1N.
What is the InChIKey of 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is YHVCBUHGIBCVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-15-10-7-11(9-5-3-2-4-6-9)18-12(10)13(17)16(8)14/h2-7H,14H2,1H3.
What are the key properties of 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one?
3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 257.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 793586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).