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

C15H17Cl2N3S — CID 80872507

IUPAC6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2cc(Cl)ccc2Cl)c1CC
InChIInChI=1S/C15H17Cl2N3S/c1-3-7-18-14-11(4-2)15(20-9-19-14)21-13-8-10(16)5-6-12(13)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyRIIDCDLBRYPENO-UHFFFAOYSA-N
MW342.30 g/mol
LogP5.32
Rot. Bonds6

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

6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80872507) has the molecular formula C15H17Cl2N3S and a molecular weight of 342.30 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
PubChem CID80872507
Molecular FormulaC15H17Cl2N3S
Molecular Weight342.30 g/mol
Exact Mass341.05
IUPAC Name6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2cc(Cl)ccc2Cl)c1CC
InChIInChI=1S/C15H17Cl2N3S/c1-3-7-18-14-11(4-2)15(20-9-19-14)21-13-8-10(16)5-6-12(13)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyRIIDCDLBRYPENO-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-5-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine (CID 80872507) is 6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Sc2cc(Cl)ccc2Cl)c1CC.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is RIIDCDLBRYPENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3S/c1-3-7-18-14-11(4-2)15(20-9-19-14)21-13-8-10(16)5-6-12(13)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine?
6-(2,5-dichlorophenyl)sulfanyl-5-ethyl-N-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-5-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80872507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).