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

C12H18BrN3 — CID 80666920

IUPACN-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CCBr)C2CC2)ncn1
InChIInChI=1S/C12H18BrN3/c1-2-3-10-8-12(15-9-14-10)16(7-6-13)11-4-5-11/h8-9,11H,2-7H2,1H3
InChIKeyGJGWIGNVMKCRNZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.79
Rot. Bonds6

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

N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine (PubChem CID 80666920) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine
PubChem CID80666920
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CCBr)C2CC2)ncn1
InChIInChI=1S/C12H18BrN3/c1-2-3-10-8-12(15-9-14-10)16(7-6-13)11-4-5-11/h8-9,11H,2-7H2,1H3
InChIKeyGJGWIGNVMKCRNZ-UHFFFAOYSA-N
XLogP2.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine (CID 80666920) is N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine is CCCc1cc(N(CCBr)C2CC2)ncn1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine?
The InChIKey is GJGWIGNVMKCRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-2-3-10-8-12(15-9-14-10)16(7-6-13)11-4-5-11/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine?
N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 2.79, 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-cyclopropyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 80666920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).