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

C13H20N6OS — CID 80825241

IUPAC4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NC(C)c2nccs2)n1
InChIInChI=1S/C13H20N6OS/c1-4-7-20-13-18-11(14-5-2)17-12(19-13)16-9(3)10-15-6-8-21-10/h6,8-9H,4-5,7H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyMDBGEAVAOMZIER-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.72
Rot. Bonds8

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

4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80825241) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80825241
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NC(C)c2nccs2)n1
InChIInChI=1S/C13H20N6OS/c1-4-7-20-13-18-11(14-5-2)17-12(19-13)16-9(3)10-15-6-8-21-10/h6,8-9H,4-5,7H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyMDBGEAVAOMZIER-UHFFFAOYSA-N
XLogP2.72
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637867
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
4-N-ethyl-2-N-(1-methoxy-3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827418
6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845106
6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80844454
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
2-N-(1-cyclopentylethyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821468
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898
4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80784173
2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 80775822
6-(2-aminoethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 14341539

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80825241) is 4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(NC(C)c2nccs2)n1.
What is the InChIKey of 4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is MDBGEAVAOMZIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-7-20-13-18-11(14-5-2)17-12(19-13)16-9(3)10-15-6-8-21-10/h6,8-9H,4-5,7H2,1-3H3,(H2,14,16,17,18,19).
What are the key properties of 4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 308.41 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80825241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).