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

C12H11ClFN3 — CID 62481306

IUPAC6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1ccc(F)c(Nc2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C12H11ClFN3/c1-7-3-4-9(14)10(5-7)17-12-6-11(13)15-8(2)16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyORKXLAIRTDROBX-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.63
Rot. Bonds2

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

6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine (PubChem CID 62481306) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
PubChem CID62481306
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1ccc(F)c(Nc2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C12H11ClFN3/c1-7-3-4-9(14)10(5-7)17-12-6-11(13)15-8(2)16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyORKXLAIRTDROBX-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
6-chloro-N-(2-fluoro-5-methylphenyl)-4-nitropyridin-2-amine
CID 114070777
N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766917
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
CID 102823905
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80920038
6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine
CID 114070545
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775814
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine (CID 62481306) is 6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine is Cc1ccc(F)c(Nc2cc(Cl)nc(C)n2)c1.
What is the InChIKey of 6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is ORKXLAIRTDROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-7-3-4-9(14)10(5-7)17-12-6-11(13)15-8(2)16-12/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine?
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 251.69 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 62481306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).