2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H23N5O — CID 80840573

IUPAC2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)(CC)Nc1nc(NC)nc(OC)n1
InChIInChI=1S/C12H23N5O/c1-6-12(7-2,8-3)17-10-14-9(13-4)15-11(16-10)18-5/h6-8H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyJAHIUWLEAYRORL-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.30
Rot. Bonds7

About 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80840573) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80840573
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)(CC)Nc1nc(NC)nc(OC)n1
InChIInChI=1S/C12H23N5O/c1-6-12(7-2,8-3)17-10-14-9(13-4)15-11(16-10)18-5/h6-8H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyJAHIUWLEAYRORL-UHFFFAOYSA-N
XLogP2.30
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868576
6-methoxy-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174661
N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028208
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866305
4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
6-methoxy-2-N-(2-methoxy-2-methylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 104767298
4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80888350
4-hydrazinyl-6-methoxy-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80920216
6-methoxy-4-N-methyl-2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113479536
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
CID 107868608

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80840573) is 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CCC(CC)(CC)Nc1nc(NC)nc(OC)n1.
What is the InChIKey of 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JAHIUWLEAYRORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-12(7-2,8-3)17-10-14-9(13-4)15-11(16-10)18-5/h6-8H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80840573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).