6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine

C16H19BrFN3 — CID 106646745

IUPAC6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cccc(Br)c2F)c1CCC
InChIInChI=1S/C16H19BrFN3/c1-3-6-12-15(11-7-5-8-13(17)14(11)18)20-10-21-16(12)19-9-4-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20,21)
InChIKeyBTFIUCARUIPTAC-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.82
Rot. Bonds6

About 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine

6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine (PubChem CID 106646745) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
PubChem CID106646745
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cccc(Br)c2F)c1CCC
InChIInChI=1S/C16H19BrFN3/c1-3-6-12-15(11-7-5-8-13(17)14(11)18)20-10-21-16(12)19-9-4-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20,21)
InChIKeyBTFIUCARUIPTAC-UHFFFAOYSA-N
XLogP4.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886
6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 106646843
4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 106646781
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 82793042
6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 79691423
6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
CID 79992418
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 107604672
6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 115504003
6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 114747264
5-bromo-6-phenyl-N-propylpyrimidin-4-amine
CID 66294940
6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 115504286
6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 79742436

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine (CID 106646745) is 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(-c2cccc(Br)c2F)c1CCC.
What is the InChIKey of 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is BTFIUCARUIPTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-3-6-12-15(11-7-5-8-13(17)14(11)18)20-10-21-16(12)19-9-4-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine?
6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 352.25 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 106646745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).