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

C11H20N4O3 — CID 113244350

IUPAC4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCOc1nc(NCC(C)(C)CCO)nc(OC)n1
InChIInChI=1S/C11H20N4O3/c1-11(2,5-6-16)7-12-8-13-9(17-3)15-10(14-8)18-4/h16H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyPQODHEQFYVXITM-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.71
Rot. Bonds7

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

4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 113244350) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID113244350
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCOc1nc(NCC(C)(C)CCO)nc(OC)n1
InChIInChI=1S/C11H20N4O3/c1-11(2,5-6-16)7-12-8-13-9(17-3)15-10(14-8)18-4/h16H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyPQODHEQFYVXITM-UHFFFAOYSA-N
XLogP0.71
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol (CID 113244350) is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol is COc1nc(NCC(C)(C)CCO)nc(OC)n1.
What is the InChIKey of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is PQODHEQFYVXITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,5-6-16)7-12-8-13-9(17-3)15-10(14-8)18-4/h16H,5-7H2,1-4H3,(H,12,13,14,15).
What are the key properties of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 256.31 g/mol, XLogP of 0.71, 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]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 113244350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).