6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine

C15H21N5O — CID 80791546

IUPAC6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCOc2cccc(C)c2)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-3-17-13-10-14(20-15(16)19-13)18-7-8-21-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyLLROGYYHNHLMRH-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.29
Rot. Bonds7

About 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 80791546) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
PubChem CID80791546
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCOc2cccc(C)c2)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-3-17-13-10-14(20-15(16)19-13)18-7-8-21-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyLLROGYYHNHLMRH-UHFFFAOYSA-N
XLogP2.29
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80814624
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
CID 62482638
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825945
N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
CID 61031885

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine (CID 80791546) is 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine is CCNc1cc(NCCOc2cccc(C)c2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is LLROGYYHNHLMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-17-13-10-14(20-15(16)19-13)18-7-8-21-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 287.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80791546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).