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

C14H16BrFN4 — CID 116974351

IUPAC2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)Nc1ncc(-c2cc(Br)ccc2F)cn1
InChIInChI=1S/C14H16BrFN4/c1-14(2,8-17)20-13-18-6-9(7-19-13)11-5-10(15)3-4-12(11)16/h3-7H,8,17H2,1-2H3,(H,18,19,20)
InChIKeySWJKZBFRLOIUKF-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.19
Rot. Bonds4

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

2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine (PubChem CID 116974351) has the molecular formula C14H16BrFN4 and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine
PubChem CID116974351
Molecular FormulaC14H16BrFN4
Molecular Weight339.21 g/mol
Exact Mass338.05
IUPAC Name2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)Nc1ncc(-c2cc(Br)ccc2F)cn1
InChIInChI=1S/C14H16BrFN4/c1-14(2,8-17)20-13-18-6-9(7-19-13)11-5-10(15)3-4-12(11)16/h3-7H,8,17H2,1-2H3,(H,18,19,20)
InChIKeySWJKZBFRLOIUKF-UHFFFAOYSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975651
5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977034
1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974314
1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974554
N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974151
2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine
CID 116974358
2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974370
5-(5-chloro-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977013
[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine
CID 79743323
2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
CID 116892809
N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 119523767
2-(5-bromo-2-fluorophenyl)-4-fluoropyridine
CID 102824499

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine (CID 116974351) is 2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine is CC(C)(CN)Nc1ncc(-c2cc(Br)ccc2F)cn1.
What is the InChIKey of 2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine?
The InChIKey is SWJKZBFRLOIUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4/c1-14(2,8-17)20-13-18-6-9(7-19-13)11-5-10(15)3-4-12(11)16/h3-7H,8,17H2,1-2H3,(H,18,19,20).
What are the key properties of 2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine?
2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine has a molecular weight of 339.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 116974351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).