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

C12H18N6OS — CID 80843765

IUPAC6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NC(C)c2nc(C)cs2)n1
InChIInChI=1S/C12H18N6OS/c1-5-19-12-17-10(13-4)16-11(18-12)15-8(3)9-14-7(2)6-20-9/h6,8H,5H2,1-4H3,(H2,13,15,16,17,18)
InChIKeyVVYVWKCJVZKCNH-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.25
Rot. Bonds6

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

6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80843765) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80843765
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NC(C)c2nc(C)cs2)n1
InChIInChI=1S/C12H18N6OS/c1-5-19-12-17-10(13-4)16-11(18-12)15-8(3)9-14-7(2)6-20-9/h6,8H,5H2,1-4H3,(H2,13,15,16,17,18)
InChIKeyVVYVWKCJVZKCNH-UHFFFAOYSA-N
XLogP2.25
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-ethoxy-4-N-methyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781075
2-N-[1-(2-chlorophenyl)ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80784410
2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844575
4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 115355155
6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80843860
2-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565229
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63091595
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80845227
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80800577
4-ethoxy-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80897139

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80843765) is 6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NC(C)c2nc(C)cs2)n1.
What is the InChIKey of 6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VVYVWKCJVZKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-5-19-12-17-10(13-4)16-11(18-12)15-8(3)9-14-7(2)6-20-9/h6,8H,5H2,1-4H3,(H2,13,15,16,17,18).
What are the key properties of 6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 294.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80843765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).