6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine

C14H15BrFN3 — CID 80946081

IUPAC6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C14H15BrFN3/c1-3-4-13-18-12(8-14(17-2)19-13)10-7-9(15)5-6-11(10)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyARLKRXSVMWLLFH-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.04
Rot. Bonds4

About 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine

6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80946081) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80946081
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C14H15BrFN3/c1-3-4-13-18-12(8-14(17-2)19-13)10-7-9(15)5-6-11(10)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyARLKRXSVMWLLFH-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
CID 80945263
6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 82822927
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 113324696
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80946552
2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
CID 80936143
6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945080
N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 80939393
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80945811
N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80940706
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine (CID 80946081) is 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is ARLKRXSVMWLLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-3-4-13-18-12(8-14(17-2)19-13)10-7-9(15)5-6-11(10)16/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine?
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).