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

C12H23N5O — CID 80838818

IUPAC2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(C)N(C)c1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O/c1-7-12(4,5)17(6)10-14-9(13)15-11(16-10)18-8(2)3/h8H,7H2,1-6H3,(H2,13,14,15,16)
InChIKeyNZPJGIPSKJQQND-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.87
Rot. Bonds5

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

2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80838818) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80838818
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(C)N(C)c1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O/c1-7-12(4,5)17(6)10-14-9(13)15-11(16-10)18-8(2)3/h8H,7H2,1-6H3,(H2,13,14,15,16)
InChIKeyNZPJGIPSKJQQND-UHFFFAOYSA-N
XLogP1.87
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80912872
1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848544
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80866087
2-N-[2-[ethyl(methyl)amino]ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80832721
2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80773890
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918727
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 80821234
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
CID 80812627
2-N-methyl-2-N-(1-methylpiperidin-4-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80766712
2-N-methyl-2-N-(2-methylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80820530
4-(3-methoxy-3-methylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106669229
2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 104830638

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80838818) is 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCC(C)(C)N(C)c1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NZPJGIPSKJQQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-7-12(4,5)17(6)10-14-9(13)15-11(16-10)18-8(2)3/h8H,7H2,1-6H3,(H2,13,14,15,16).
What are the key properties of 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80838818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).