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

C13H25N5O — CID 80815170

IUPAC2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OC)nc(N(C)C(C)C(C)(C)C)n1
InChIInChI=1S/C13H25N5O/c1-8-14-10-15-11(17-12(16-10)19-7)18(6)9(2)13(3,4)5/h9H,8H2,1-7H3,(H,14,15,16,17)
InChIKeyGLIHEWCWAUIAQY-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.18
Rot. Bonds5

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

2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80815170) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80815170
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OC)nc(N(C)C(C)C(C)(C)C)n1
InChIInChI=1S/C13H25N5O/c1-8-14-10-15-11(17-12(16-10)19-7)18(6)9(2)13(3,4)5/h9H,8H2,1-7H3,(H,14,15,16,17)
InChIKeyGLIHEWCWAUIAQY-UHFFFAOYSA-N
XLogP2.18
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-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

6-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80793517
4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776462
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771509
4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82952492
6-methoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80810740
2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80820590
2-N-butan-2-yl-4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821053
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 102989484
6-N-ethyl-2-N-(1-methoxypropan-2-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80808890
1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80871890

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80815170) is 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is CCNc1nc(OC)nc(N(C)C(C)C(C)(C)C)n1.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GLIHEWCWAUIAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-8-14-10-15-11(17-12(16-10)19-7)18(6)9(2)13(3,4)5/h9H,8H2,1-7H3,(H,14,15,16,17).
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80815170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).