2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one

C10H6Cl3N3OS — CID 57023228

IUPAC2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H6Cl3N3OS/c11-4-1-5(12)8(6(13)2-4)18-7-3-15-10(14)16-9(7)17/h1-3H,(H3,14,15,16,17)
InChIKeyWDZJKBVBBYDDQC-UHFFFAOYSA-N
MW322.60 g/mol
LogP3.46
Rot. Bonds2

About 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one

2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 57023228) has the molecular formula C10H6Cl3N3OS and a molecular weight of 322.60 g/mol. Its IUPAC name is 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID57023228
Molecular FormulaC10H6Cl3N3OS
Molecular Weight322.60 g/mol
Exact Mass320.93
IUPAC Name2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H6Cl3N3OS/c11-4-1-5(12)8(6(13)2-4)18-7-3-15-10(14)16-9(7)17/h1-3H,(H3,14,15,16,17)
InChIKeyWDZJKBVBBYDDQC-UHFFFAOYSA-N
XLogP3.46
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one (CID 57023228) is 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one is Nc1ncc(Sc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is WDZJKBVBBYDDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3OS/c11-4-1-5(12)8(6(13)2-4)18-7-3-15-10(14)16-9(7)17/h1-3H,(H3,14,15,16,17).
What are the key properties of 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 322.60 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 57023228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).