N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine

C13H12BrClFN3 — CID 113452357

IUPACN-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H12BrClFN3/c1-2-3-9-12(15)17-7-18-13(9)19-8-4-5-11(16)10(14)6-8/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyQKIGCMKGGFPLLO-UHFFFAOYSA-N
MW344.62 g/mol
LogP4.73
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine

N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine (PubChem CID 113452357) has the molecular formula C13H12BrClFN3 and a molecular weight of 344.62 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
PubChem CID113452357
Molecular FormulaC13H12BrClFN3
Molecular Weight344.62 g/mol
Exact Mass342.99
IUPAC NameN-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H12BrClFN3/c1-2-3-9-12(15)17-7-18-13(9)19-8-4-5-11(16)10(14)6-8/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyQKIGCMKGGFPLLO-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 63728931
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729623
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838
6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
CID 63790853
4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 114841127
6-N-(3-bromo-4-fluorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759804
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
N-(5-bromo-2-iodophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 114261134

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine (CID 113452357) is N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine?
The InChIKey is QKIGCMKGGFPLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFN3/c1-2-3-9-12(15)17-7-18-13(9)19-8-4-5-11(16)10(14)6-8/h4-7H,2-3H2,1H3,(H,17,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine?
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine has a molecular weight of 344.62 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine is sourced from PubChem (CID 113452357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).