N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine

C14H18N4OS — CID 80890079

IUPACN-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(SCc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4OS/c1-4-15-12-16-13(19-3)18-14(17-12)20-9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,15,16,17,18)
InChIKeyFDVRWCPIMGDXFQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.91
Rot. Bonds6

About N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine

N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80890079) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine
PubChem CID80890079
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(SCc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4OS/c1-4-15-12-16-13(19-3)18-14(17-12)20-9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,15,16,17,18)
InChIKeyFDVRWCPIMGDXFQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 46734070
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 103291519
4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871999
4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 62857336
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
N-ethyl-4-(3-methylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883594
6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 896205
3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
CID 80797396
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893899
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888545

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine (CID 80890079) is N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(SCc2cccc(C)c2)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is FDVRWCPIMGDXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-15-12-16-13(19-3)18-14(17-12)20-9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 290.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80890079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).