4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine

C12H11ClFN3O — CID 80876322

IUPAC4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-15-12-16-6-10(14)11(17-12)18-7-8-3-2-4-9(13)5-8/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyXCLCOEONHBSKHQ-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.89
Rot. Bonds4

About 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine

4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80876322) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80876322
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-15-12-16-6-10(14)11(17-12)18-7-8-3-2-4-9(13)5-8/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyXCLCOEONHBSKHQ-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332822
6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
CID 114073469
4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80876394
4-(3,5-dichlorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80874147
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80876211
5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine
CID 79075950
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80876248
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
8-[(3-chlorophenyl)methoxy]-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80876547
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
2-[(3-chlorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66279132
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine (CID 80876322) is 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(OCc2cccc(Cl)c2)n1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is XCLCOEONHBSKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-15-12-16-6-10(14)11(17-12)18-7-8-3-2-4-9(13)5-8/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine?
4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 267.69 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80876322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).