6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine

C15H17Cl2N3S — CID 80872154

IUPAC6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2N3S/c1-3-5-11-14(18-4-2)19-9-20-15(11)21-13-8-10(16)6-7-12(13)17/h6-9H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyNPJGRETUMUHQFH-UHFFFAOYSA-N
MW342.30 g/mol
LogP5.32
Rot. Bonds6

About 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine

6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 80872154) has the molecular formula C15H17Cl2N3S and a molecular weight of 342.30 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID80872154
Molecular FormulaC15H17Cl2N3S
Molecular Weight342.30 g/mol
Exact Mass341.05
IUPAC Name6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2N3S/c1-3-5-11-14(18-4-2)19-9-20-15(11)21-13-8-10(16)6-7-12(13)17/h6-9H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyNPJGRETUMUHQFH-UHFFFAOYSA-N
XLogP5.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.30
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine (CID 80872154) is 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is NPJGRETUMUHQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3S/c1-3-5-11-14(18-4-2)19-9-20-15(11)21-13-8-10(16)6-7-12(13)17/h6-9H,3-5H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine?
6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine has a molecular weight of 342.30 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80872154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).