4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine

C9H9ClN4S — CID 164655131

IUPAC4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(Nc2cscc2C)n1
InChIInChI=1S/C9H9ClN4S/c1-5-3-15-4-7(5)13-9-12-6(2)11-8(10)14-9/h3-4H,1-2H3,(H,11,12,13,14)
InChIKeyMPGISBPZHSWCCM-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.95
Rot. Bonds2

About 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine

4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine (PubChem CID 164655131) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine
PubChem CID164655131
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(Nc2cscc2C)n1
InChIInChI=1S/C9H9ClN4S/c1-5-3-15-4-7(5)13-9-12-6(2)11-8(10)14-9/h3-4H,1-2H3,(H,11,12,13,14)
InChIKeyMPGISBPZHSWCCM-UHFFFAOYSA-N
XLogP2.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol
CID 101088452
4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
CID 59052845
ethane;(4-methylthiophen-3-yl)hydrazine
CID 143422051
(4-methylthiophen-3-yl)hydrazine;hydrochloride
CID 55281111
4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 110190836
2-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]naphthalene-1-sulfonic acid
CID 58879252
2-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(methylamino)benzenesulfonic acid
CID 23532452
4-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-2-methylbenzenesulfonic acid
CID 21343192
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
2-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]naphthalene-1,5-disulfonic acid
CID 58879255

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine (CID 164655131) is 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine is Cc1nc(Cl)nc(Nc2cscc2C)n1.
What is the InChIKey of 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is MPGISBPZHSWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-5-3-15-4-7(5)13-9-12-6(2)11-8(10)14-9/h3-4H,1-2H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine?
4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 240.72 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 164655131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).