4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine

C14H17ClN4OS — CID 80872051

IUPAC4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Sc2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4OS/c1-3-9-16-12-17-13(20-4-2)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-8H,3-4,9H2,1-2H3,(H,16,17,18,19)
InChIKeyGBGPEUFQBXHFIH-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.90
Rot. Bonds7

About 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine

4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80872051) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80872051
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Sc2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4OS/c1-3-9-16-12-17-13(20-4-2)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-8H,3-4,9H2,1-2H3,(H,16,17,18,19)
InChIKeyGBGPEUFQBXHFIH-UHFFFAOYSA-N
XLogP3.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785153
4-(2-bromophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80888661
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80883595
4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80890904
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
4-(3-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80892291
4-(3-chlorophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80892069
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 115505060

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (CID 80872051) is 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(Sc2ccccc2Cl)n1.
What is the InChIKey of 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is GBGPEUFQBXHFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-3-9-16-12-17-13(20-4-2)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-8H,3-4,9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 324.84 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).