4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine

C13H16N4O — CID 64830678

IUPAC4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCc1ccc(N)cc1Oc1ccnc(N(C)C)n1
InChIInChI=1S/C13H16N4O/c1-9-4-5-10(14)8-11(9)18-12-6-7-15-13(16-12)17(2)3/h4-8H,14H2,1-3H3
InChIKeyWTUJPJUYWOQQLB-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.23
Rot. Bonds3

About 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine

4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine (PubChem CID 64830678) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
PubChem CID64830678
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCc1ccc(N)cc1Oc1ccnc(N(C)C)n1
InChIInChI=1S/C13H16N4O/c1-9-4-5-10(14)8-11(9)18-12-6-7-15-13(16-12)17(2)3/h4-8H,14H2,1-3H3
InChIKeyWTUJPJUYWOQQLB-UHFFFAOYSA-N
XLogP2.23
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(2-methylpyrimidin-4-yl)oxyaniline
CID 62770055
4-(2-amino-4-fluorophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64831267
4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64830084
4-(2,5-dimethylphenoxy)pyrimidin-2-amine
CID 80864136
4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 79843232
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
4-methyl-3-pyridazin-3-yloxyaniline
CID 62482845
4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
CID 83065097
4-(4-iodophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64829666
1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone
CID 134828568
[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine
CID 80922000
ethane;methane;3-methoxy-4-methylaniline
CID 144516222

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine (CID 64830678) is 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine is Cc1ccc(N)cc1Oc1ccnc(N(C)C)n1.
What is the InChIKey of 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is WTUJPJUYWOQQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-5-10(14)8-11(9)18-12-6-7-15-13(16-12)17(2)3/h4-8H,14H2,1-3H3.
What are the key properties of 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine?
4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64830678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).