5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine

C12H11Cl2N3O — CID 80858949

IUPAC5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O/c1-15-12-16-6-10(14)11(17-12)18-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyLQIDPSFCXYFTEU-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.40
Rot. Bonds4

About 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine

5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine (PubChem CID 80858949) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
PubChem CID80858949
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O/c1-15-12-16-6-10(14)11(17-12)18-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyLQIDPSFCXYFTEU-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
CID 80859211
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785478
6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80989714
1-[5-chloro-2-[(2-chlorophenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 114927670
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80883410
5-chloro-2-N-methyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80849598
[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine
CID 114216987
5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
CID 80879542
4-[(2-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
CID 82824989
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine (CID 80858949) is 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(OCc2ccccc2Cl)n1.
What is the InChIKey of 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine?
The InChIKey is LQIDPSFCXYFTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-15-12-16-6-10(14)11(17-12)18-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine?
5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine has a molecular weight of 284.15 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80858949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).