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

C10H8ClN3OS — CID 11010496

IUPAC2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8ClN3OS/c11-6-1-3-7(4-2-6)16-8-5-13-10(12)14-9(8)15/h1-5H,(H3,12,13,14,15)
InChIKeyTYLIIUQTAKDMED-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.16
Rot. Bonds2

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

2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 11010496) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID11010496
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1ncc(Sc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8ClN3OS/c11-6-1-3-7(4-2-6)16-8-5-13-10(12)14-9(8)15/h1-5H,(H3,12,13,14,15)
InChIKeyTYLIIUQTAKDMED-UHFFFAOYSA-N
XLogP2.16
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.16
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-1H-pyrimidin-6-one
CID 57291000
2-amino-5-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137079393
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-(3,5-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 135434137
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
5-[(4-Chlorophenyl)sulfanyl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
CID 3719445
6-Amino-5-((4-chlorophenyl)thio)-2-thioxo-2,3-dihydropyrimidine-4(1h)-one
CID 129857978
5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-6-methyl-1H-pyrimidin-4-one
CID 135743966

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one (CID 11010496) is 2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one is Nc1ncc(Sc2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is TYLIIUQTAKDMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-6-1-3-7(4-2-6)16-8-5-13-10(12)14-9(8)15/h1-5H,(H3,12,13,14,15).
What are the key properties of 2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one?
2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 253.71 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 11010496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).