2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C12H23N5O — CID 104830638

IUPAC2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H23N5O/c1-7(2)18-11-16-9(13)15-10(17-11)14-8(3)12(4,5)6/h7-8H,1-6H3,(H3,13,14,15,16,17)
InChIKeyVJZPVVOXCTUFLG-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.09
Rot. Bonds4

About 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 104830638) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID104830638
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H23N5O/c1-7(2)18-11-16-9(13)15-10(17-11)14-8(3)12(4,5)6/h7-8H,1-6H3,(H3,13,14,15,16,17)
InChIKeyVJZPVVOXCTUFLG-UHFFFAOYSA-N
XLogP2.09
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-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 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 104830638) is 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NC(C)C(C)(C)C)n1.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is VJZPVVOXCTUFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-7(2)18-11-16-9(13)15-10(17-11)14-8(3)12(4,5)6/h7-8H,1-6H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104830638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).