4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine

C13H13Cl2N3O — CID 174264536

IUPAC4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(OCc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-18(2)13-16-7-6-11(17-13)19-8-9-4-3-5-10(14)12(9)15/h3-7H,8H2,1-2H3
InChIKeyMWXVCMDYPKJPHJ-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.43
Rot. Bonds4

About 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine

4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine (PubChem CID 174264536) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine
PubChem CID174264536
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(OCc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-18(2)13-16-7-6-11(17-13)19-8-9-4-3-5-10(14)12(9)15/h3-7H,8H2,1-2H3
InChIKeyMWXVCMDYPKJPHJ-UHFFFAOYSA-N
XLogP3.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine (CID 174264536) is 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(OCc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is MWXVCMDYPKJPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-18(2)13-16-7-6-11(17-13)19-8-9-4-3-5-10(14)12(9)15/h3-7H,8H2,1-2H3.
What are the key properties of 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine?
4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 298.17 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methoxy]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 174264536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).