4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine

C12H13BrN4S — CID 66056926

IUPAC4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CSc2ccc(Br)cc2)n1
InChIInChI=1S/C12H13BrN4S/c1-2-10-15-11(17-12(14)16-10)7-18-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,14,15,16,17)
InChIKeyXYUSKQCKCMVJTN-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.07
Rot. Bonds4

About 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine

4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 66056926) has the molecular formula C12H13BrN4S and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine
PubChem CID66056926
Molecular FormulaC12H13BrN4S
Molecular Weight325.24 g/mol
Exact Mass324.00
IUPAC Name4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CSc2ccc(Br)cc2)n1
InChIInChI=1S/C12H13BrN4S/c1-2-10-15-11(17-12(14)16-10)7-18-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,14,15,16,17)
InChIKeyXYUSKQCKCMVJTN-UHFFFAOYSA-N
XLogP3.07
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[(4-bromophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-amine
CID 66300013
4-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]phenol
CID 47298329
2-[(4-bromophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307765
4-[(4-chlorophenyl)sulfanylmethyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 2746148
5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 102618150
methyl 4-amino-2-[(4-bromophenyl)sulfanylmethyl]-6-methylpyrimidine-5-carboxylate
CID 116647596
6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8926530
2-[2-[(4-bromophenyl)sulfanylmethyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 66054735
3,5-bis[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 20566315
(1R)-1-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565413
1-[2-[(4-bromophenyl)sulfanylmethyl]pyrimidin-5-yl]butan-2-amine
CID 66055534
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]-4-chloro-6-(methoxymethyl)pyrimidine
CID 66293237

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine (CID 66056926) is 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine is CCc1nc(N)nc(CSc2ccc(Br)cc2)n1.
What is the InChIKey of 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is XYUSKQCKCMVJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4S/c1-2-10-15-11(17-12(14)16-10)7-18-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine?
4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 325.24 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfanylmethyl]-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66056926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).