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

C14H15Cl2N3S — CID 80884347

IUPAC6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3S/c1-3-4-10-13(17-2)18-8-19-14(10)20-12-7-9(15)5-6-11(12)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyOTILBAVQVLSFJQ-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.93
Rot. Bonds5

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

6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80884347) has the molecular formula C14H15Cl2N3S and a molecular weight of 328.27 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80884347
Molecular FormulaC14H15Cl2N3S
Molecular Weight328.27 g/mol
Exact Mass327.04
IUPAC Name6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3S/c1-3-4-10-13(17-2)18-8-19-14(10)20-12-7-9(15)5-6-11(12)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyOTILBAVQVLSFJQ-UHFFFAOYSA-N
XLogP4.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
CID 80921884
2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80885968
4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80779766
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80886227
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine
CID 80883518
N-methyl-5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80883794
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 113473144

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine (CID 80884347) is 6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is OTILBAVQVLSFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3S/c1-3-4-10-13(17-2)18-8-19-14(10)20-12-7-9(15)5-6-11(12)16/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine?
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 328.27 g/mol, XLogP of 4.93, 5 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-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80884347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).