1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine

C12H22N4O2 — CID 63198426

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1nc(OC)nc(OC)n1)C(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-12(2,3)8(13-4)7-9-14-10(17-5)16-11(15-9)18-6/h8,13H,7H2,1-6H3
InChIKeyPNQPACMUZOQYEM-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.07
Rot. Bonds5

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine (PubChem CID 63198426) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine
PubChem CID63198426
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1nc(OC)nc(OC)n1)C(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-12(2,3)8(13-4)7-9-14-10(17-5)16-11(15-9)18-6/h8,13H,7H2,1-6H3
InChIKeyPNQPACMUZOQYEM-UHFFFAOYSA-N
XLogP1.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine (CID 63198426) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine is CNC(Cc1nc(OC)nc(OC)n1)C(C)(C)C.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine?
The InChIKey is PNQPACMUZOQYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,3)8(13-4)7-9-14-10(17-5)16-11(15-9)18-6/h8,13H,7H2,1-6H3.
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 63198426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).