4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine

C14H16BrFN4 — CID 80794797

IUPAC4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccccc2Br)n1
InChIInChI=1S/C14H16BrFN4/c1-2-7-17-14-19-9-12(16)13(20-14)18-8-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyVYMUSDJARJOWHX-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.81
Rot. Bonds6

About 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine

4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80794797) has the molecular formula C14H16BrFN4 and a molecular weight of 339.21 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
PubChem CID80794797
Molecular FormulaC14H16BrFN4
Molecular Weight339.21 g/mol
Exact Mass338.05
IUPAC Name4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccccc2Br)n1
InChIInChI=1S/C14H16BrFN4/c1-2-7-17-14-19-9-12(16)13(20-14)18-8-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyVYMUSDJARJOWHX-UHFFFAOYSA-N
XLogP3.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-bromophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80794799
5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80778083
5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80791778
5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 114187078
4-N-(3-bromo-4-fluorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 104781958
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539
5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828035
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
5-fluoro-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899165
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 106378528

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine (CID 80794797) is 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCc2ccccc2Br)n1.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VYMUSDJARJOWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4/c1-2-7-17-14-19-9-12(16)13(20-14)18-8-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 339.21 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).