2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one

C10H9N3OS — CID 57143088

IUPAC2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3OS/c11-10-12-6-8(9(14)13-10)15-7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyPZCOYRNJXARRHU-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.50
Rot. Bonds2

About 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one

2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one (PubChem CID 57143088) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one
PubChem CID57143088
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3OS/c11-10-12-6-8(9(14)13-10)15-7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyPZCOYRNJXARRHU-UHFFFAOYSA-N
XLogP1.50
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-2-{[2-(phenylthio)ethyl]thio}-4-pyrimidinol
CID 135547407
2-(Methylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol
CID 1488918
2-(Isopropylsulfanyl)-5-(phenylsulfonyl)-4-pyrimidinol
CID 1488919
2-(Dimethylamino)-5-(phenylsulfonyl)-4-pyrimidinol
CID 1488221
2,6-Diamino-5-phenylsulfanyl-3H-pyrimidin-4-one
CID 136044204
5-phenylsulfanyl-1H-pyrimidine-2,4-dione
CID 308734
4(1H)-Pyrimidinone, 2-chloro-6-(phenylthio)-
CID 478083
Pyrimidine, 2-amino-4-hydroxy-5-(3-methyl)anilino-
CID 121220739
2-amino-5-(4-chloro-2-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 57009218
2-amino-5-[4-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-6-one
CID 57092956
2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 57291000
2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one
CID 137286195

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one (CID 57143088) is 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one is Nc1ncc(Sc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is PZCOYRNJXARRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-10-12-6-8(9(14)13-10)15-7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14).
What are the key properties of 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one?
2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 219.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 57143088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).