6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione

C17H15N3O2S — CID 2330836

IUPAC6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione
SMILESNc1c(Sc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H15N3O2S/c18-15-14(23-13-9-5-2-6-10-13)16(21)19-17(22)20(15)11-12-7-3-1-4-8-12/h1-10H,11,18H2,(H,19,21,22)
InChIKeyCRZXVHBITIJOBV-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.32
Rot. Bonds4

About 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione

6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione (PubChem CID 2330836) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione
PubChem CID2330836
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione
SMILESNc1c(Sc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H15N3O2S/c18-15-14(23-13-9-5-2-6-10-13)16(21)19-17(22)20(15)11-12-7-3-1-4-8-12/h1-10H,11,18H2,(H,19,21,22)
InChIKeyCRZXVHBITIJOBV-UHFFFAOYSA-N
XLogP2.32
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione (CID 2330836) is 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione is Nc1c(Sc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione?
The InChIKey is CRZXVHBITIJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c18-15-14(23-13-9-5-2-6-10-13)16(21)19-17(22)20(15)11-12-7-3-1-4-8-12/h1-10H,11,18H2,(H,19,21,22).
What are the key properties of 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione has a molecular weight of 325.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-phenylsulfanylpyrimidine-2,4-dione is sourced from PubChem (CID 2330836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).