N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

C16H19BrFN3 — CID 66424703

IUPACN-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2cc(F)cc(Br)c2)nc(C)c1CNC(C)C
InChIInChI=1S/C16H19BrFN3/c1-9(2)19-8-15-10(3)20-16(21-11(15)4)12-5-13(17)7-14(18)6-12/h5-7,9,19H,8H2,1-4H3
InChIKeyPTNOZHSPVOBAMP-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.16
Rot. Bonds4

About N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 66424703) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID66424703
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC NameN-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2cc(F)cc(Br)c2)nc(C)c1CNC(C)C
InChIInChI=1S/C16H19BrFN3/c1-9(2)19-8-15-10(3)20-16(21-11(15)4)12-5-13(17)7-14(18)6-12/h5-7,9,19H,8H2,1-4H3
InChIKeyPTNOZHSPVOBAMP-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66423893
N-[[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 63089028
2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine
CID 66426213
[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66424697
N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 62944754
N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 107915641
(1S)-1-[2-(3-bromo-5-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431635
N-[[2-(3-bromo-5-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841562
2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66423699
N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 62746192
2-(3-bromo-5-fluorophenyl)-4,6-dichloropyrimidine
CID 66423622
2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66424690

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (CID 66424703) is N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(-c2cc(F)cc(Br)c2)nc(C)c1CNC(C)C.
What is the InChIKey of N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is PTNOZHSPVOBAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-9(2)19-8-15-10(3)20-16(21-11(15)4)12-5-13(17)7-14(18)6-12/h5-7,9,19H,8H2,1-4H3.
What are the key properties of N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 66424703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).