N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine

C16H21N3O3 — CID 141283349

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCOc2c(C)cccc2C)n1
InChIInChI=1S/C16H21N3O3/c1-11-6-5-7-12(2)15(11)22-9-8-17-16-18-13(20-3)10-14(19-16)21-4/h5-7,10H,8-9H2,1-4H3,(H,17,18,19)
InChIKeyGEFLPLLFTYZYSV-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.60
Rot. Bonds7

About N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine

N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine (PubChem CID 141283349) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
PubChem CID141283349
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCOc2c(C)cccc2C)n1
InChIInChI=1S/C16H21N3O3/c1-11-6-5-7-12(2)15(11)22-9-8-17-16-18-13(20-3)10-14(19-16)21-4/h5-7,10H,8-9H2,1-4H3,(H,17,18,19)
InChIKeyGEFLPLLFTYZYSV-UHFFFAOYSA-N
XLogP2.60
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine 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

N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355315
4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 115354984
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
CID 115355134
2-(2,6-dimethylphenoxy)ethylhydrazine
CID 82125287
4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004
N-[2-(3-bromophenoxy)ethyl]-4-methoxypyrimidin-2-amine
CID 133270166
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 115354935
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine (CID 141283349) is N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NCCOc2c(C)cccc2C)n1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is GEFLPLLFTYZYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-6-5-7-12(2)15(11)22-9-8-17-16-18-13(20-3)10-14(19-16)21-4/h5-7,10H,8-9H2,1-4H3,(H,17,18,19).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine?
N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 303.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 141283349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).