1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine

C13H14BrFN4 — CID 116974314

IUPAC1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCC(N)CNc1ncc(-c2cc(Br)ccc2F)cn1
InChIInChI=1S/C13H14BrFN4/c1-8(16)5-17-13-18-6-9(7-19-13)11-4-10(14)2-3-12(11)15/h2-4,6-8H,5,16H2,1H3,(H,17,18,19)
InChIKeyAZBZAAAXTNAZBL-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.80
Rot. Bonds4

About 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine

1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine (PubChem CID 116974314) has the molecular formula C13H14BrFN4 and a molecular weight of 325.19 g/mol. Its IUPAC name is 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine
PubChem CID116974314
Molecular FormulaC13H14BrFN4
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCC(N)CNc1ncc(-c2cc(Br)ccc2F)cn1
InChIInChI=1S/C13H14BrFN4/c1-8(16)5-17-13-18-6-9(7-19-13)11-4-10(14)2-3-12(11)15/h2-4,6-8H,5,16H2,1H3,(H,17,18,19)
InChIKeyAZBZAAAXTNAZBL-UHFFFAOYSA-N
XLogP2.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974554
2-[[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975651
5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977034
2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine
CID 116974351
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
CID 104606339
N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974151
3-amino-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 64541504
5-(5-bromo-2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977236
1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974313
1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 82970486
5-(5-chloro-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977013
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888202

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine?
The IUPAC name of 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine (CID 116974314) is 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine is CC(N)CNc1ncc(-c2cc(Br)ccc2F)cn1.
What is the InChIKey of 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine?
The InChIKey is AZBZAAAXTNAZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4/c1-8(16)5-17-13-18-6-9(7-19-13)11-4-10(14)2-3-12(11)15/h2-4,6-8H,5,16H2,1H3,(H,17,18,19).
What are the key properties of 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine?
1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine has a molecular weight of 325.19 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 116974314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).