4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine

C12H17N5OS — CID 80825243

IUPAC4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)c2ccsc2)nc(OC)n1
InChIInChI=1S/C12H17N5OS/c1-4-13-10-15-11(17-12(16-10)18-3)14-8(2)9-5-6-19-7-9/h5-8H,4H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyPMPPXNAOILQYHU-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.55
Rot. Bonds6

About 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80825243) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80825243
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)c2ccsc2)nc(OC)n1
InChIInChI=1S/C12H17N5OS/c1-4-13-10-15-11(17-12(16-10)18-3)14-8(2)9-5-6-19-7-9/h5-8H,4H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyPMPPXNAOILQYHU-UHFFFAOYSA-N
XLogP2.55
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80800600
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80904735
4-N-ethyl-6-methoxy-2-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592515
4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine
CID 113491500
N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888545
N-ethyl-2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80800941
N-ethyl-4-methoxy-6-(4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865175
4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80825241
3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65274547
4-ethyl-N-(1-thiophen-3-ylethyl)-1,3-thiazol-2-amine
CID 62962097
4-N-ethyl-2-N-[1-(furan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80775608

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80825243) is 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)c2ccsc2)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PMPPXNAOILQYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-13-10-15-11(17-12(16-10)18-3)14-8(2)9-5-6-19-7-9/h5-8H,4H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 279.37 g/mol, XLogP of 2.55, 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-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80825243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).