2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C11H22N6O — CID 80777165

IUPAC2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCCN(C)C)n1
InChIInChI=1S/C11H22N6O/c1-8(2)18-11-15-9(12)14-10(16-11)13-6-5-7-17(3)4/h8H,5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyGLXKEYPAUKXYJK-UHFFFAOYSA-N
MW254.34 g/mol
LogP0.60
Rot. Bonds7

About 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80777165) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80777165
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCCN(C)C)n1
InChIInChI=1S/C11H22N6O/c1-8(2)18-11-15-9(12)14-10(16-11)13-6-5-7-17(3)4/h8H,5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyGLXKEYPAUKXYJK-UHFFFAOYSA-N
XLogP0.60
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-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-N-[2-[ethyl(methyl)amino]ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80832721
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80816661
6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830703
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
6-propan-2-yloxy-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106433948
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine
CID 80938206
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 104830638
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 80818524

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80777165) is 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NCCCN(C)C)n1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is GLXKEYPAUKXYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-8(2)18-11-15-9(12)14-10(16-11)13-6-5-7-17(3)4/h8H,5-7H2,1-4H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 254.34 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80777165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).