2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

C12H9N3OS — CID 12508971

IUPAC2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(N)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C12H9N3OS/c1-17-11-8-9(14-12(13)15-11)6-4-2-3-5-7(6)10(8)16/h2-5H,1H3,(H2,13,14,15)
InChIKeyRYDRRPOXKSEGSY-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.99
Rot. Bonds1

About 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (PubChem CID 12508971) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
PubChem CID12508971
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(N)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C12H9N3OS/c1-17-11-8-9(14-12(13)15-11)6-4-2-3-5-7(6)10(8)16/h2-5H,1H3,(H2,13,14,15)
InChIKeyRYDRRPOXKSEGSY-UHFFFAOYSA-N
XLogP1.99
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (CID 12508971) is 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is CSc1nc(N)nc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is RYDRRPOXKSEGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-17-11-8-9(14-12(13)15-11)6-4-2-3-5-7(6)10(8)16/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 243.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 12508971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).