6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine

C13H13Cl2N3S — CID 80891496

IUPAC6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3S/c1-2-3-9-12(16)17-7-18-13(9)19-8-4-5-10(14)11(15)6-8/h4-7H,2-3H2,1H3,(H2,16,17,18)
InChIKeyXBYPDLGSPAAEQB-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.47
Rot. Bonds4

About 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine

6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine (PubChem CID 80891496) has the molecular formula C13H13Cl2N3S and a molecular weight of 314.24 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine
PubChem CID80891496
Molecular FormulaC13H13Cl2N3S
Molecular Weight314.24 g/mol
Exact Mass313.02
IUPAC Name6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3S/c1-2-3-9-12(16)17-7-18-13(9)19-8-4-5-10(14)11(15)6-8/h4-7H,2-3H2,1H3,(H2,16,17,18)
InChIKeyXBYPDLGSPAAEQB-UHFFFAOYSA-N
XLogP4.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine
CID 80891436
6-ethylsulfanyl-5-propylpyrimidin-4-amine
CID 80887417
5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
CID 80883053
6-benzylsulfanyl-5-propylpyrimidin-4-amine
CID 80887991
4-chloro-6-(4-nitrophenyl)sulfanyl-5-propylpyrimidine
CID 63730820
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
CID 80884347
[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
CID 80921884
4-chloro-6-(3,4-dichlorophenyl)sulfanyl-2-propylpyrimidine
CID 80945057
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80885324
2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine
CID 114044360
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80784843

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine (CID 80891496) is 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Sc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine?
The InChIKey is XBYPDLGSPAAEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3S/c1-2-3-9-12(16)17-7-18-13(9)19-8-4-5-10(14)11(15)6-8/h4-7H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine?
6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine has a molecular weight of 314.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80891496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).