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

C14H19N5O — CID 80814624

IUPAC6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCCOc2cccc(C)c2)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-10-4-3-5-11(8-10)20-7-6-17-13-9-12(16-2)18-14(15)19-13/h3-5,8-9H,6-7H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyPDRRFHJLLTVUID-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds6

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

6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 80814624) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
PubChem CID80814624
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCCOc2cccc(C)c2)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-10-4-3-5-11(8-10)20-7-6-17-13-9-12(16-2)18-14(15)19-13/h3-5,8-9H,6-7H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyPDRRFHJLLTVUID-UHFFFAOYSA-N
XLogP1.90
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
CID 62482638
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
CID 61031885
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine
CID 55012619

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine (CID 80814624) is 6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine is CNc1cc(NCCOc2cccc(C)c2)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is PDRRFHJLLTVUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-4-3-5-11(8-10)20-7-6-17-13-9-12(16-2)18-14(15)19-13/h3-5,8-9H,6-7H2,1-2H3,(H4,15,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine?
6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 273.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80814624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).