5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine

C9H13BrClN3 — CID 63873651

IUPAC5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(CCCl)c1ncc(Br)cn1
InChIInChI=1S/C9H13BrClN3/c1-2-4-14(5-3-11)9-12-6-8(10)7-13-9/h6-7H,2-5H2,1H3
InChIKeyRGRXHLMJIMLNTL-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.69
Rot. Bonds5

About 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine

5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine (PubChem CID 63873651) has the molecular formula C9H13BrClN3 and a molecular weight of 278.58 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine
PubChem CID63873651
Molecular FormulaC9H13BrClN3
Molecular Weight278.58 g/mol
Exact Mass277.00
IUPAC Name5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(CCCl)c1ncc(Br)cn1
InChIInChI=1S/C9H13BrClN3/c1-2-4-14(5-3-11)9-12-6-8(10)7-13-9/h6-7H,2-5H2,1H3
InChIKeyRGRXHLMJIMLNTL-UHFFFAOYSA-N
XLogP2.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.69
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

5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine
CID 63873646
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719331
3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
CID 105368683
5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine
CID 63392030
N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102976014
3-bromo-N-(2-chloroethyl)-4-methyl-N-propylpyridin-2-amine
CID 106878874
N-butyl-5-ethyl-N-propylpyrimidin-2-amine
CID 71107630
5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine
CID 107079952
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
N-(2-chloroethyl)-4-propoxy-N-propylpyrimidin-2-amine
CID 112639203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine (CID 63873651) is 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine is CCCN(CCCl)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine?
The InChIKey is RGRXHLMJIMLNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClN3/c1-2-4-14(5-3-11)9-12-6-8(10)7-13-9/h6-7H,2-5H2,1H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine?
5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine has a molecular weight of 278.58 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 63873651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).