N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine

C11H8BrClFN3 — CID 107636939

IUPACN-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESCc1c(Br)cccc1Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H8BrClFN3/c1-6-7(12)3-2-4-9(6)16-10-8(14)5-15-11(13)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyRUMLJCUBLWHCAI-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.08
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine

N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 107636939) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID107636939
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC NameN-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESCc1c(Br)cccc1Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H8BrClFN3/c1-6-7(12)3-2-4-9(6)16-10-8(14)5-15-11(13)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyRUMLJCUBLWHCAI-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107638778
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
CID 107638006
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine
CID 163404144
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80760549
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,5-dimethylphenol
CID 22060614

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine (CID 107636939) is N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine is Cc1c(Br)cccc1Nc1nc(Cl)ncc1F.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is RUMLJCUBLWHCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c1-6-7(12)3-2-4-9(6)16-10-8(14)5-15-11(13)17-10/h2-5H,1H3,(H,15,16,17).
What are the key properties of N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine?
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 316.56 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 107636939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).