5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine

C11H17BrN4 — CID 80826452

IUPAC5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC2CCC2)n1
InChIInChI=1S/C11H17BrN4/c1-2-6-13-11-14-7-9(12)10(16-11)15-8-4-3-5-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyOXAUYLWAJPEGDX-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.03
Rot. Bonds5

About 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine

5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80826452) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80826452
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC2CCC2)n1
InChIInChI=1S/C11H17BrN4/c1-2-6-13-11-14-7-9(12)10(16-11)15-8-4-3-5-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyOXAUYLWAJPEGDX-UHFFFAOYSA-N
XLogP3.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80780154
5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114541901
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine
CID 80784796
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
tert-butyl N-[4-[[5-bromo-2-(butylamino)pyrimidin-4-yl]amino]cyclohexyl]carbamate
CID 140752162
5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067
5-bromo-4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 81046257

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine (CID 80826452) is 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(NC2CCC2)n1.
What is the InChIKey of 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is OXAUYLWAJPEGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-2-6-13-11-14-7-9(12)10(16-11)15-8-4-3-5-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine?
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 285.19 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80826452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).