N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine

C11H18BrN3 — CID 107205149

IUPACN-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(N(C)CCCCCBr)nc1
InChIInChI=1S/C11H18BrN3/c1-10-8-13-11(14-9-10)15(2)7-5-3-4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyVZGFWEZHRLXMHX-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.79
Rot. Bonds6

About N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine

N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine (PubChem CID 107205149) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine
PubChem CID107205149
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(N(C)CCCCCBr)nc1
InChIInChI=1S/C11H18BrN3/c1-10-8-13-11(14-9-10)15(2)7-5-3-4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyVZGFWEZHRLXMHX-UHFFFAOYSA-N
XLogP2.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine (CID 107205149) is N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine is Cc1cnc(N(C)CCCCCBr)nc1.
What is the InChIKey of N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is VZGFWEZHRLXMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-10-8-13-11(14-9-10)15(2)7-5-3-4-6-12/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine?
N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 272.19 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-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 107205149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).