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

C12H11ClFN3O — CID 63728648

IUPAC6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCOc1cc(F)ccc1Nc1ncnc(Cl)c1C
InChIInChI=1S/C12H11ClFN3O/c1-7-11(13)15-6-16-12(7)17-9-4-3-8(14)5-10(9)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXXUWDHFMYKHTJK-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.33
Rot. Bonds3

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

6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine (PubChem CID 63728648) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
PubChem CID63728648
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCOc1cc(F)ccc1Nc1ncnc(Cl)c1C
InChIInChI=1S/C12H11ClFN3O/c1-7-11(13)15-6-16-12(7)17-9-4-3-8(14)5-10(9)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXXUWDHFMYKHTJK-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63736084
2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 79073354
6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63735765
5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80905202
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19153374
methyl 4-(4-fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58413295
3-bromo-2-N-(4-fluoro-2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 104506600
4-N-(4-fluoro-2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 80804524
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
6-chloro-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63734235
bis[(E)-[4-chloro-6-[4-fluoro-2-(3-methoxycyclobutyl)oxyanilino]pyrimidin-5-yl]methylideneamino] sulfate
CID 176884137
7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-fluoro-2-methoxyphenyl)-5-methylquinazolin-4-amine
CID 129262382

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine (CID 63728648) is 6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine is COc1cc(F)ccc1Nc1ncnc(Cl)c1C.
What is the InChIKey of 6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is XXUWDHFMYKHTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-11(13)15-6-16-12(7)17-9-4-3-8(14)5-10(9)18-2/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63728648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).