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

C10H8Cl2N4OS — CID 135434141

IUPAC2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1nc(N)c(Sc2c(Cl)cccc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H8Cl2N4OS/c11-4-2-1-3-5(12)6(4)18-7-8(13)15-10(14)16-9(7)17/h1-3H,(H5,13,14,15,16,17)
InChIKeyJBFZICSUTGONJB-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.39
Rot. Bonds2

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

2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135434141) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is 2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135434141
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC Name2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1nc(N)c(Sc2c(Cl)cccc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H8Cl2N4OS/c11-4-2-1-3-5(12)6(4)18-7-8(13)15-10(14)16-9(7)17/h1-3H,(H5,13,14,15,16,17)
InChIKeyJBFZICSUTGONJB-UHFFFAOYSA-N
XLogP2.39
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Diamino-5-phenylsulfanyl-3H-pyrimidin-4-one
CID 136044204
2-amino-5-(2-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 57291000
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-(2,4-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
2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 70116015
2-amino-4-(cyclohexylamino)-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 136454181
2,6-Diamino-5-(2,3-dichlorophenyl)sulfanyl-3-methylpyrimidin-4-one
CID 145209998

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one (CID 135434141) is 2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one is Nc1nc(N)c(Sc2c(Cl)cccc2Cl)c(=O)[nH]1.
What is the InChIKey of 2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is JBFZICSUTGONJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c11-4-2-1-3-5(12)6(4)18-7-8(13)15-10(14)16-9(7)17/h1-3H,(H5,13,14,15,16,17).
What are the key properties of 2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 303.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(2,6-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135434141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).