5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine

C11H19BrN4 — CID 80768856

IUPAC5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC(C)(C)C)n1
InChIInChI=1S/C11H19BrN4/c1-5-6-13-10-14-7-8(12)9(15-10)16-11(2,3)4/h7H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyVWEXBLKNJODGDR-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.27
Rot. Bonds4

About 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine

5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80768856) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80768856
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC Name5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC(C)(C)C)n1
InChIInChI=1S/C11H19BrN4/c1-5-6-13-10-14-7-8(12)9(15-10)16-11(2,3)4/h7H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyVWEXBLKNJODGDR-UHFFFAOYSA-N
XLogP3.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280543
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80837168
5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine
CID 80861307
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
CID 82949363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine (CID 80768856) is 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(NC(C)(C)C)n1.
What is the InChIKey of 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VWEXBLKNJODGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-5-6-13-10-14-7-8(12)9(15-10)16-11(2,3)4/h7H,5-6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine?
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 287.20 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80768856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).