4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol

C10H18N4O3 — CID 66107544

IUPAC4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCOc1nc(NCC(C)CCO)nc(OC)n1
InChIInChI=1S/C10H18N4O3/c1-7(4-5-15)6-11-8-12-9(16-2)14-10(13-8)17-3/h7,15H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyZPUGDWHDKBLBCL-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.32
Rot. Bonds7

About 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol

4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 66107544) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID66107544
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCOc1nc(NCC(C)CCO)nc(OC)n1
InChIInChI=1S/C10H18N4O3/c1-7(4-5-15)6-11-8-12-9(16-2)14-10(13-8)17-3/h7,15H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyZPUGDWHDKBLBCL-UHFFFAOYSA-N
XLogP0.32
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol (CID 66107544) is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol is COc1nc(NCC(C)CCO)nc(OC)n1.
What is the InChIKey of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is ZPUGDWHDKBLBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(4-5-15)6-11-8-12-9(16-2)14-10(13-8)17-3/h7,15H,4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 242.28 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 66107544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).