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

C10H10N4OS — CID 131844784

IUPAC2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccccc2N)c(=O)[nH]1
InChIInChI=1S/C10H10N4OS/c11-6-3-1-2-4-7(6)16-8-5-13-10(12)14-9(8)15/h1-5H,11H2,(H3,12,13,14,15)
InChIKeyMMFNEBRFAGTUHY-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.09
Rot. Bonds2

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

2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 131844784) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID131844784
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccccc2N)c(=O)[nH]1
InChIInChI=1S/C10H10N4OS/c11-6-3-1-2-4-7(6)16-8-5-13-10(12)14-9(8)15/h1-5H,11H2,(H3,12,13,14,15)
InChIKeyMMFNEBRFAGTUHY-UHFFFAOYSA-N
XLogP1.09
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one (CID 131844784) is 2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one is Nc1ncc(Sc2ccccc2N)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is MMFNEBRFAGTUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-6-3-1-2-4-7(6)16-8-5-13-10(12)14-9(8)15/h1-5H,11H2,(H3,12,13,14,15).
What are the key properties of 2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one?
2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 234.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 131844784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).