4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine

C11H11ClN4OS — CID 107645630

IUPAC4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2ccccc2SC)n1
InChIInChI=1S/C11H11ClN4OS/c1-17-11-15-9(12)14-10(16-11)13-7-5-3-4-6-8(7)18-2/h3-6H,1-2H3,(H,13,14,15,16)
InChIKeySLNNVZZXEDGTNK-UHFFFAOYSA-N
MW282.76 g/mol
LogP3.00
Rot. Bonds4

About 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine (PubChem CID 107645630) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
PubChem CID107645630
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2ccccc2SC)n1
InChIInChI=1S/C11H11ClN4OS/c1-17-11-15-9(12)14-10(16-11)13-7-5-3-4-6-8(7)18-2/h3-6H,1-2H3,(H,13,14,15,16)
InChIKeySLNNVZZXEDGTNK-UHFFFAOYSA-N
XLogP3.00
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine
CID 62858993
2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine
CID 102286750
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile
CID 107800154
4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288
N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62858822
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689
N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63550284
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859182
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine (CID 107645630) is 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(Nc2ccccc2SC)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is SLNNVZZXEDGTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-17-11-15-9(12)14-10(16-11)13-7-5-3-4-6-8(7)18-2/h3-6H,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 282.76 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107645630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).