4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine

C12H13ClN4O — CID 64830084

IUPAC4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(Oc2ccc(Cl)cc2N)n1
InChIInChI=1S/C12H13ClN4O/c1-17(2)12-15-6-5-11(16-12)18-10-4-3-8(13)7-9(10)14/h3-7H,14H2,1-2H3
InChIKeyFKXRSHZIIIMXTC-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.57
Rot. Bonds3

About 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine

4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine (PubChem CID 64830084) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine
PubChem CID64830084
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(Oc2ccc(Cl)cc2N)n1
InChIInChI=1S/C12H13ClN4O/c1-17(2)12-15-6-5-11(16-12)18-10-4-3-8(13)7-9(10)14/h3-7H,14H2,1-2H3
InChIKeyFKXRSHZIIIMXTC-UHFFFAOYSA-N
XLogP2.57
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.57
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-(2-amino-4-fluorophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64831267
4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64830678
5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline
CID 62770590
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline
CID 83064435
4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 79843232
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
CID 43518893
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
CID 62073920
4,5-dichloro-2-(2-methylpyrimidin-4-yl)oxyaniline
CID 107500964
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
5-bromo-4-(2-chloropyrimidin-4-yl)oxy-2-methylaniline
CID 155095425

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine (CID 64830084) is 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(Oc2ccc(Cl)cc2N)n1.
What is the InChIKey of 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is FKXRSHZIIIMXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17(2)12-15-6-5-11(16-12)18-10-4-3-8(13)7-9(10)14/h3-7H,14H2,1-2H3.
What are the key properties of 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine?
4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64830084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).