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

C9H16N4O3 — CID 686453

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCOc1nc(NC(C)(C)CO)nc(OC)n1
InChIInChI=1S/C9H16N4O3/c1-9(2,5-14)13-6-10-7(15-3)12-8(11-6)16-4/h14H,5H2,1-4H3,(H,10,11,12,13)
InChIKeyDWYZFHGGTUKDQO-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.07
Rot. Bonds5

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

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 686453) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
PubChem CID686453
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCOc1nc(NC(C)(C)CO)nc(OC)n1
InChIInChI=1S/C9H16N4O3/c1-9(2,5-14)13-6-10-7(15-3)12-8(11-6)16-4/h14H,5H2,1-4H3,(H,10,11,12,13)
InChIKeyDWYZFHGGTUKDQO-UHFFFAOYSA-N
XLogP0.07
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (CID 686453) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol is COc1nc(NC(C)(C)CO)nc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is DWYZFHGGTUKDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-9(2,5-14)13-6-10-7(15-3)12-8(11-6)16-4/h14H,5H2,1-4H3,(H,10,11,12,13).
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 228.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 686453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).