2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine

C15H21N5O — CID 80865696

IUPAC2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2cccc(C(C)C)c2)nc(N(C)C)n1
InChIInChI=1S/C15H21N5O/c1-10(2)11-7-6-8-12(9-11)21-15-18-13(16-3)17-14(19-15)20(4)5/h6-10H,1-5H3,(H,16,17,18,19)
InChIKeyRQELBCWIQJULLB-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.89
Rot. Bonds5

About 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80865696) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine
PubChem CID80865696
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Oc2cccc(C(C)C)c2)nc(N(C)C)n1
InChIInChI=1S/C15H21N5O/c1-10(2)11-7-6-8-12(9-11)21-15-18-13(16-3)17-14(19-15)20(4)5/h6-10H,1-5H3,(H,16,17,18,19)
InChIKeyRQELBCWIQJULLB-UHFFFAOYSA-N
XLogP2.89
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80874464
2-N,2-N,4-N-trimethyl-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 80872059
6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80880335
2-N-(3-methoxyphenyl)-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 80796248
N,5-dimethyl-4-(3-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80864328
6-(2,5-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80864385
6-(2,4-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863196
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869615
N-methyl-6-(3-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863588

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine (CID 80865696) is 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine is CNc1nc(Oc2cccc(C(C)C)c2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is RQELBCWIQJULLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)11-7-6-8-12(9-11)21-15-18-13(16-3)17-14(19-15)20(4)5/h6-10H,1-5H3,(H,16,17,18,19).
What are the key properties of 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-6-(3-propan-2-ylphenoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80865696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).