2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one

C11H11N3OS — CID 121220739

IUPAC2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1cccc(Sc2cnc(N)[nH]c2=O)c1
InChIInChI=1S/C11H11N3OS/c1-7-3-2-4-8(5-7)16-9-6-13-11(12)14-10(9)15/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyLRBPRMQUHTXWEG-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.81
Rot. Bonds2

About 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one

2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 121220739) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID121220739
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1cccc(Sc2cnc(N)[nH]c2=O)c1
InChIInChI=1S/C11H11N3OS/c1-7-3-2-4-8(5-7)16-9-6-13-11(12)14-10(9)15/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyLRBPRMQUHTXWEG-UHFFFAOYSA-N
XLogP1.81
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Diamino-5-phenylsulfanyl-3H-pyrimidin-4-one
CID 136044204
Pyrimidine, 2-amino-4-hydroxy-5-phenylthio-
CID 57143088
2-amino-5-[4-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-6-one
CID 57092956
2,4-diamino-5-(p-tolylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135434151
2,4-diamino-5-benzylsulfanyl-1H-pyrimidin-6-one
CID 135434153
5-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione
CID 10243110
2-methylsulfanyl-5-(3-phenylpropylsulfanyl)-1H-pyrimidin-6-one
CID 23346156
2-amino-5-(4-ethylphenyl)sulfanyl-1H-pyrimidin-6-one
CID 57199601
2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one
CID 57256510
2-amino-5-(4-methylphenyl)sulfanyl-1H-pyrimidin-6-one
CID 57261359
4-[(2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)sulfanyl]benzonitrile
CID 130328309
4-[(2-chloro-6-oxo-1H-pyrimidin-5-yl)sulfanyl]benzonitrile
CID 135139119

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one (CID 121220739) is 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one is Cc1cccc(Sc2cnc(N)[nH]c2=O)c1.
What is the InChIKey of 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is LRBPRMQUHTXWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-3-2-4-8(5-7)16-9-6-13-11(12)14-10(9)15/h2-6H,1H3,(H3,12,13,14,15).
What are the key properties of 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one?
2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 233.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 121220739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).