2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one

C10H7ClFN3OS — CID 57291000

IUPAC2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccc(F)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H7ClFN3OS/c11-6-3-5(12)1-2-7(6)17-8-4-14-10(13)15-9(8)16/h1-4H,(H3,13,14,15,16)
InChIKeyMIBNHVOWFZTLET-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.30
Rot. Bonds2

About 2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one

2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 57291000) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID57291000
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccc(F)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H7ClFN3OS/c11-6-3-5(12)1-2-7(6)17-8-4-14-10(13)15-9(8)16/h1-4H,(H3,13,14,15,16)
InChIKeyMIBNHVOWFZTLET-UHFFFAOYSA-N
XLogP2.30
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2-amino-4-hydroxy-5-phenylthio-
CID 57143088
2-amino-5-(4-chloro-2-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 57009218
2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-4-(cyclohexylamino)-1H-pyrimidin-6-one
CID 136445479
2-amino-5-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137079393
5-(2-chloro-4-fluorophenyl)sulfanyl-2-(cyclohexylamino)-1H-pyrimidin-6-one
CID 142021003
2,4-diamino-5-(2-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 135407111
2,4-diamino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 135434134
2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 135434141
2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 135434147
2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 11010496
2-amino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 53911384
2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 57023228

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one (CID 57291000) is 2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one is Nc1ncc(Sc2ccc(F)cc2Cl)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is MIBNHVOWFZTLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3OS/c11-6-3-5(12)1-2-7(6)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-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 271.70 g/mol, XLogP of 2.30, 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-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 57291000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).