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

C10H7Cl2N3OS — CID 70116015

IUPAC2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H7Cl2N3OS/c11-5-1-2-7(6(12)3-5)17-8-4-14-10(13)15-9(8)16/h1-4H,(H3,13,14,15,16)
InChIKeyJBAZNFBCWXBDKT-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.81
Rot. Bonds2

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

2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 70116015) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID70116015
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC Name2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H7Cl2N3OS/c11-5-1-2-7(6(12)3-5)17-8-4-14-10(13)15-9(8)16/h1-4H,(H3,13,14,15,16)
InChIKeyJBAZNFBCWXBDKT-UHFFFAOYSA-N
XLogP2.81
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.81
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-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one (CID 70116015) is 2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one is Nc1ncc(Sc2ccc(Cl)cc2Cl)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is JBAZNFBCWXBDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c11-5-1-2-7(6(12)3-5)17-8-4-14-10(13)15-9(8)16/h1-4H,(H3,13,14,15,16).
What are the key properties of 2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 288.16 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 70116015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).