4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C13H19N5OS — CID 80800600

IUPAC4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)c2ccc(C)s2)nc(OC)n1
InChIInChI=1S/C13H19N5OS/c1-5-14-11-16-12(18-13(17-11)19-4)15-9(3)10-7-6-8(2)20-10/h6-7,9H,5H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyKKIAATODGJETHY-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.86
Rot. Bonds6

About 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80800600) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80800600
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)c2ccc(C)s2)nc(OC)n1
InChIInChI=1S/C13H19N5OS/c1-5-14-11-16-12(18-13(17-11)19-4)15-9(3)10-7-6-8(2)20-10/h6-7,9H,5H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyKKIAATODGJETHY-UHFFFAOYSA-N
XLogP2.86
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80825243
4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 112691799
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80835417
5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 103745877
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-ethyl-2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80800941
4-N-ethyl-6-methoxy-2-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592515
4-N-ethyl-2-N-[1-(furan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80775608
6-chloro-4-N-ethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780980
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782030
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80800600) is 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)c2ccc(C)s2)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KKIAATODGJETHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-14-11-16-12(18-13(17-11)19-4)15-9(3)10-7-6-8(2)20-10/h6-7,9H,5H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 293.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80800600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).