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

C15H17BrFN3 — CID 66305152

IUPAC5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2F)nc(NC)c1Br
InChIInChI=1S/C15H17BrFN3/c1-3-6-12-14(16)15(18-2)20-13(19-12)9-10-7-4-5-8-11(10)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyJUNXIEUWLISNCQ-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.96
Rot. Bonds5

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

5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66305152) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66305152
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2F)nc(NC)c1Br
InChIInChI=1S/C15H17BrFN3/c1-3-6-12-14(16)15(18-2)20-13(19-12)9-10-7-4-5-8-11(10)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyJUNXIEUWLISNCQ-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-2-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66305359
5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66307338
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66303641
5-bromo-2-[(2-fluorophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66307477
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (CID 66305152) is 5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(Cc2ccccc2F)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is JUNXIEUWLISNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-3-6-12-14(16)15(18-2)20-13(19-12)9-10-7-4-5-8-11(10)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 338.22 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).