N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine

C12H18BrN3 — CID 80669094

IUPACN-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine
SMILESCc1cnc(N(CCBr)C2CCCC2)nc1
InChIInChI=1S/C12H18BrN3/c1-10-8-14-12(15-9-10)16(7-6-13)11-4-2-3-5-11/h8-9,11H,2-7H2,1H3
InChIKeyGMGLWPQUVAVIHF-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.93
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine

N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine (PubChem CID 80669094) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine
PubChem CID80669094
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine
SMILESCc1cnc(N(CCBr)C2CCCC2)nc1
InChIInChI=1S/C12H18BrN3/c1-10-8-14-12(15-9-10)16(7-6-13)11-4-2-3-5-11/h8-9,11H,2-7H2,1H3
InChIKeyGMGLWPQUVAVIHF-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.93
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-cyclohexylquinazolin-2-amine
CID 114789865
N-cyclopropyl-N-ethyl-5-methylpyrimidin-2-amine
CID 131110420
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380
5-bromo-N-(2-bromoethyl)-N-cyclohexyl-3-methylpyridin-2-amine
CID 80677070
5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 107084638
N-(2-bromoethyl)-N-cyclopentyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 80669323
3-[cyclopropyl-(5-methylpyrimidin-2-yl)amino]propanethioamide
CID 63208221
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
CID 80668501
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
CID 80669537
N-(2-bromoethyl)-N-cyclohexyl-5-iodopyrimidin-4-amine
CID 80675574
N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine
CID 102871601

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine (CID 80669094) is N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine is Cc1cnc(N(CCBr)C2CCCC2)nc1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine?
The InChIKey is GMGLWPQUVAVIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-10-8-14-12(15-9-10)16(7-6-13)11-4-2-3-5-11/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine?
N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine has a molecular weight of 284.20 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80669094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).