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2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C12H11N5OS — CID 135516687

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1
InChIInChI=1S/C12H11N5OS/c1-6-9(19-7-2-4-14-5-3-7)8-10(15-6)16-12(13)17-11(8)18/h2-5H,1H3,(H4,13,15,16,17,18)
InChIKeyUDVUNRHQICGCBT-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.69
Rot. Bonds2

About 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135516687) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135516687
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1
InChIInChI=1S/C12H11N5OS/c1-6-9(19-7-2-4-14-5-3-7)8-10(15-6)16-12(13)17-11(8)18/h2-5H,1H3,(H4,13,15,16,17,18)
InChIKeyUDVUNRHQICGCBT-UHFFFAOYSA-N
XLogP1.69
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135516687) is 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1.
What is the InChIKey of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is UDVUNRHQICGCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-6-9(19-7-2-4-14-5-3-7)8-10(15-6)16-12(13)17-11(8)18/h2-5H,1H3,(H4,13,15,16,17,18).
What are the key properties of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 273.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135516687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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