5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine

C10H16BrN3 — CID 107079952

IUPAC5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine
SMILESCCCN(CC)c1ncc(CBr)cn1
InChIInChI=1S/C10H16BrN3/c1-3-5-14(4-2)10-12-7-9(6-11)8-13-10/h7-8H,3-6H2,1-2H3
InChIKeyCGNJPFRJJKAYKL-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.61
Rot. Bonds5

About 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine

5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine (PubChem CID 107079952) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine
PubChem CID107079952
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine
SMILESCCCN(CC)c1ncc(CBr)cn1
InChIInChI=1S/C10H16BrN3/c1-3-5-14(4-2)10-12-7-9(6-11)8-13-10/h7-8H,3-6H2,1-2H3
InChIKeyCGNJPFRJJKAYKL-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.61
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-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 69160465
N-butyl-5-ethyl-N-propylpyrimidin-2-amine
CID 71107630
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564
5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
CID 113388464
4-(bromomethyl)-N-ethyl-N-propylaniline
CID 107079955
N-butyl-N,5-dipropylpyrimidin-2-amine
CID 71106875
N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102976014
5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine
CID 63873651
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 107085026
3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol
CID 104843994
N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine
CID 80669848

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine (CID 107079952) is 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine is CCCN(CC)c1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine?
The InChIKey is CGNJPFRJJKAYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-3-5-14(4-2)10-12-7-9(6-11)8-13-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine?
5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine has a molecular weight of 258.16 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 107079952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).