N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine

C13H12BrClFN3 — CID 106194274

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1cc(Br)ccc1F
InChIInChI=1S/C13H12BrClFN3/c1-2-10-12(15)18-7-19-13(10)17-6-8-5-9(14)3-4-11(8)16/h3-5,7H,2,6H2,1H3,(H,17,18,19)
InChIKeyGPOBVKWPBZUKKW-UHFFFAOYSA-N
MW344.62 g/mol
LogP4.21
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine

N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine (PubChem CID 106194274) has the molecular formula C13H12BrClFN3 and a molecular weight of 344.62 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
PubChem CID106194274
Molecular FormulaC13H12BrClFN3
Molecular Weight344.62 g/mol
Exact Mass342.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1cc(Br)ccc1F
InChIInChI=1S/C13H12BrClFN3/c1-2-10-12(15)18-7-19-13(10)17-6-8-5-9(14)3-4-11(8)16/h3-5,7H,2,6H2,1H3,(H,17,18,19)
InChIKeyGPOBVKWPBZUKKW-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.62
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
CID 63790853
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
6-chloro-5-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728917
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine
CID 106194292
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452
N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 63728982
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
4-chloro-6-[(2,5-difluorophenyl)methylamino]pyrimidine-5-carbaldehyde
CID 66366956
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine (CID 106194274) is N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine?
The InChIKey is GPOBVKWPBZUKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFN3/c1-2-10-12(15)18-7-19-13(10)17-6-8-5-9(14)3-4-11(8)16/h3-5,7H,2,6H2,1H3,(H,17,18,19).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine has a molecular weight of 344.62 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 106194274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).