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

C14H17BrN4OS — CID 80887365

IUPAC4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C14H17BrN4OS/c1-3-8-16-12-17-13(20-4-2)19-14(18-12)21-11-7-5-6-10(15)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,16,17,18,19)
InChIKeyCZUJMMAFUGSMJY-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.01
Rot. Bonds7

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

4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80887365) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80887365
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C14H17BrN4OS/c1-3-8-16-12-17-13(20-4-2)19-14(18-12)21-11-7-5-6-10(15)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,16,17,18,19)
InChIKeyCZUJMMAFUGSMJY-UHFFFAOYSA-N
XLogP4.01
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80889128
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80883595
[4-(3-bromophenyl)sulfanyl-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929944
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
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-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80889048
4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80872051
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785153
4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80866586

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (CID 80887365) is 4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(Sc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is CZUJMMAFUGSMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c1-3-8-16-12-17-13(20-4-2)19-14(18-12)21-11-7-5-6-10(15)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 369.29 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).