2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine

C12H11ClFN3O — CID 50970917

IUPAC2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2c(Cl)cccc2OC)ncc1F
InChIInChI=1S/C12H11ClFN3O/c1-15-11-8(14)6-16-12(17-11)10-7(13)4-3-5-9(10)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyCZUXAADATRGEEP-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.99
Rot. Bonds3

About 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine

2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 50970917) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID50970917
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2c(Cl)cccc2OC)ncc1F
InChIInChI=1S/C12H11ClFN3O/c1-15-11-8(14)6-16-12(17-11)10-7(13)4-3-5-9(10)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyCZUXAADATRGEEP-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 104818200
2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104818339
2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 104818259
[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104818402
2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56878178
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine
CID 66297989
3-(2,6-dimethoxyphenyl)-N-methylpyrazin-2-amine
CID 116811262
4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine
CID 133090425
1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten
CID 161298518
4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
CID 104816907
5-(2-chloro-6-methoxyphenyl)pyrazin-2-amine
CID 39826444

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine (CID 50970917) is 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine is CNc1nc(-c2c(Cl)cccc2OC)ncc1F.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is CZUXAADATRGEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-15-11-8(14)6-16-12(17-11)10-7(13)4-3-5-9(10)18-2/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine?
2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 50970917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).