N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

C14H18N4OS — CID 80885091

IUPACN-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C14H18N4OS/c1-4-9-19-13-16-12(15-3)17-14(18-13)20-11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16,17,18)
InChIKeyGTDMWUNVMNHJOZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.16
Rot. Bonds6

About N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80885091) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80885091
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C14H18N4OS/c1-4-9-19-13-16-12(15-3)17-14(18-13)20-11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16,17,18)
InChIKeyGTDMWUNVMNHJOZ-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
4-(3-fluorophenyl)sulfanyl-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890427
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894790
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 115384338
2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 22999
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80878774
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890906

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (CID 80885091) is N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(Sc2ccc(C)cc2)n1.
What is the InChIKey of N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is GTDMWUNVMNHJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-9-19-13-16-12(15-3)17-14(18-13)20-11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 290.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).