4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H17BrN4OS — CID 80872353

IUPAC4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C)nc(Sc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4OS/c1-4-16-12-17-13(20-9(2)3)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyRNPVWQFJEZQHLK-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.00
Rot. Bonds6

About 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80872353) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80872353
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C)nc(Sc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4OS/c1-4-16-12-17-13(20-9(2)3)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyRNPVWQFJEZQHLK-UHFFFAOYSA-N
XLogP4.00
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-bromophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80888661
N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887629
4-(2-bromophenyl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503733
4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871999
N-ethyl-4-(3-methylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883594
4-(3-chlorophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883029
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772904
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928369
[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80928634
methyl 2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886619
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332
4-chloro-N-ethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886104

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80872353) is 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCNc1nc(OC(C)C)nc(Sc2ccccc2Br)n1.
What is the InChIKey of 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is RNPVWQFJEZQHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c1-4-16-12-17-13(20-9(2)3)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-9H,4H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 369.29 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).