2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine

C12H10ClF2N3 — CID 103586890

IUPAC2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1cc(F)c(Nc2nc(Cl)ncc2C)cc1F
InChIInChI=1S/C12H10ClF2N3/c1-6-3-9(15)10(4-8(6)14)17-11-7(2)5-16-12(13)18-11/h3-5H,1-2H3,(H,16,17,18)
InChIKeyLAUOMBOMFGBUAZ-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.77
Rot. Bonds2

About 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine

2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 103586890) has the molecular formula C12H10ClF2N3 and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID103586890
Molecular FormulaC12H10ClF2N3
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1cc(F)c(Nc2nc(Cl)ncc2C)cc1F
InChIInChI=1S/C12H10ClF2N3/c1-6-3-9(15)10(4-8(6)14)17-11-7(2)5-16-12(13)18-11/h3-5H,1-2H3,(H,16,17,18)
InChIKeyLAUOMBOMFGBUAZ-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802
4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 103587864
2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 79073354
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 103587868
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,5-dimethylphenol
CID 22060614
5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 103587907
4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800229
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine (CID 103586890) is 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine is Cc1cc(F)c(Nc2nc(Cl)ncc2C)cc1F.
What is the InChIKey of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is LAUOMBOMFGBUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3/c1-6-3-9(15)10(4-8(6)14)17-11-7(2)5-16-12(13)18-11/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine?
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 269.68 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103586890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).