6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine

C12H23N5O — CID 112746250

IUPAC6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(COC)Nc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5O/c1-6-8(7-18-5)14-11-16-9(12(2,3)4)15-10(13)17-11/h8H,6-7H2,1-5H3,(H3,13,14,15,16,17)
InChIKeyBCDZUZWXMKQNAB-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.59
Rot. Bonds5

About 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine

6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746250) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID112746250
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(COC)Nc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5O/c1-6-8(7-18-5)14-11-16-9(12(2,3)4)15-10(13)17-11/h8H,6-7H2,1-5H3,(H3,13,14,15,16,17)
InChIKeyBCDZUZWXMKQNAB-UHFFFAOYSA-N
XLogP1.59
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 112746250) is 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(COC)Nc1nc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BCDZUZWXMKQNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-8(7-18-5)14-11-16-9(12(2,3)4)15-10(13)17-11/h8H,6-7H2,1-5H3,(H3,13,14,15,16,17).
What are the key properties of 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).