N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine

C13H20BrN3 — CID 102871599

IUPACN-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CCBr)C2CCC2)ncn1
InChIInChI=1S/C13H20BrN3/c1-2-4-11-9-13(16-10-15-11)17(8-7-14)12-5-3-6-12/h9-10,12H,2-8H2,1H3
InChIKeyJIVJDJGVORATKI-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.18
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine

N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine (PubChem CID 102871599) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine
PubChem CID102871599
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CCBr)C2CCC2)ncn1
InChIInChI=1S/C13H20BrN3/c1-2-4-11-9-13(16-10-15-11)17(8-7-14)12-5-3-6-12/h9-10,12H,2-8H2,1H3
InChIKeyJIVJDJGVORATKI-UHFFFAOYSA-N
XLogP3.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine
CID 80666920
N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine
CID 63388833
N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 80677181
3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid
CID 61236046
N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine
CID 102871601
N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine
CID 80670105
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
N-cyclopropyl-6-ethyl-N-methylpyrimidin-4-amine
CID 131155760
N-cyclopropyl-6-hydrazinyl-N-propylpyrimidin-4-amine
CID 80895552
N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine
CID 102871547

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine (CID 102871599) is N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine is CCCc1cc(N(CCBr)C2CCC2)ncn1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine?
The InChIKey is JIVJDJGVORATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-2-4-11-9-13(16-10-15-11)17(8-7-14)12-5-3-6-12/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine?
N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 102871599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).