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

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Related Compounds

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2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
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1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
5-(3-methylphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 157196587
6-amino-2-(3-methylphenyl)sulfanyl-3H-quinazolin-4-one
CID 136809643
5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
5-(3-methylphenyl)sulfanylquinolin-8-amine
CID 61244888
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83124060
5-(chloromethyl)-2-[(3-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 114205205
3-methyl-5-(3-methylphenyl)sulfanylaniline
CID 112648769
5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione
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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).