4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine

C14H17ClN4S — CID 66153350

IUPAC4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CSc2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4S/c1-14(2,3)12-17-11(18-13(16)19-12)8-20-10-7-5-4-6-9(10)15/h4-7H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyUEJXCKMSMDVHJA-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.70
Rot. Bonds3

About 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine

4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine (PubChem CID 66153350) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
PubChem CID66153350
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CSc2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4S/c1-14(2,3)12-17-11(18-13(16)19-12)8-20-10-7-5-4-6-9(10)15/h4-7H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyUEJXCKMSMDVHJA-UHFFFAOYSA-N
XLogP3.70
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66153320
4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine
CID 63868198
2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine
CID 66153318
6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 43305266
4-methyl-6-[(2-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66096995
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66153137
4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine
CID 66085806
4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932
2-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyrimidin-4-amine
CID 66154099
4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 66097202
2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430621
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66153347

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine (CID 66153350) is 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(CSc2ccccc2Cl)n1.
What is the InChIKey of 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The InChIKey is UEJXCKMSMDVHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-14(2,3)12-17-11(18-13(16)19-12)8-20-10-7-5-4-6-9(10)15/h4-7H,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine has a molecular weight of 308.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 66153350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).