5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide

C14H13Cl2N3O2S2 — CID 146239635

IUPAC5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(SCCO)c1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2S2/c1-7-11(23-10-3-2-8(15)6-9(10)16)14(22-5-4-20)19-13(18-7)12(17)21/h2-3,6,20H,4-5H2,1H3,(H2,17,21)
InChIKeyGAFRDWNRAZMJCB-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.43
Rot. Bonds6

About 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide

5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide (PubChem CID 146239635) has the molecular formula C14H13Cl2N3O2S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide
PubChem CID146239635
Molecular FormulaC14H13Cl2N3O2S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC Name5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(SCCO)c1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2S2/c1-7-11(23-10-3-2-8(15)6-9(10)16)14(22-5-4-20)19-13(18-7)12(17)21/h2-3,6,20H,4-5H2,1H3,(H2,17,21)
InChIKeyGAFRDWNRAZMJCB-UHFFFAOYSA-N
XLogP3.43
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide
CID 142395203
5-(2,4-dichlorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-amine
CID 121215661
6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide
CID 53319951
(E)-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]prop-2-enamide
CID 170876723
2-(2,4-dichlorophenyl)sulfanylacetic acid
CID 24389
4-chloro-2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 114863676
5-cyano-4-(2,4-dichlorophenyl)-6-methylpyridine-2-carboxamide
CID 53322742
4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-4-ethylsulfanyl-6-methylpyrimidine-2-carboxylic acid
CID 157460936
2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide
CID 17489868
3-[(2,4-dichlorophenyl)sulfanylmethyl]-2-methylbenzoic acid
CID 176888132
3-chloro-4-(4-chloro-2-methylphenyl)sulfanylaniline
CID 10221452
3-(2,4-dichlorophenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 22681630

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide (CID 146239635) is 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide is Cc1nc(C(N)=O)nc(SCCO)c1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide?
The InChIKey is GAFRDWNRAZMJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S2/c1-7-11(23-10-3-2-8(15)6-9(10)16)14(22-5-4-20)19-13(18-7)12(17)21/h2-3,6,20H,4-5H2,1H3,(H2,17,21).
What are the key properties of 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide?
5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide has a molecular weight of 390.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)sulfanyl-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 146239635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).