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

C12H11ClFN3O — CID 79073354

IUPAC2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCOc1cc(F)ccc1Nc1nc(Cl)ncc1C
InChIInChI=1S/C12H11ClFN3O/c1-7-6-15-12(13)17-11(7)16-9-4-3-8(14)5-10(9)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyPDISCUOTNIRGOW-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.33
Rot. Bonds3

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

2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine (PubChem CID 79073354) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
PubChem CID79073354
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCOc1cc(F)ccc1Nc1nc(Cl)ncc1C
InChIInChI=1S/C12H11ClFN3O/c1-7-6-15-12(13)17-11(7)16-9-4-3-8(14)5-10(9)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyPDISCUOTNIRGOW-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

2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine
CID 144841186
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 63728648
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 103586890
3-bromo-2-N-(4-fluoro-2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 104506600
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896
2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 79073279
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
N-[2-[[5-chloro-2-(4-fluoro-2-methoxyanilino)pyrimidin-4-yl]amino]-5-fluorophenyl]prop-2-enamide
CID 90331344

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine (CID 79073354) is 2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine is COc1cc(F)ccc1Nc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is PDISCUOTNIRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-6-15-12(13)17-11(7)16-9-4-3-8(14)5-10(9)18-2/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine?
2-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 2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79073354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).