5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine

C15H24BrN3O2 — CID 102928957

IUPAC5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(CCOCCOC)nc(C2CCCC2)c1Br
InChIInChI=1S/C15H24BrN3O2/c1-17-15-13(16)14(11-5-3-4-6-11)18-12(19-15)7-8-21-10-9-20-2/h11H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyJLFGMEKIPSMUAS-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.14
Rot. Bonds8

About 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine

5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine (PubChem CID 102928957) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine
PubChem CID102928957
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(CCOCCOC)nc(C2CCCC2)c1Br
InChIInChI=1S/C15H24BrN3O2/c1-17-15-13(16)14(11-5-3-4-6-11)18-12(19-15)7-8-21-10-9-20-2/h11H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyJLFGMEKIPSMUAS-UHFFFAOYSA-N
XLogP3.14
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66301916
5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine
CID 113390490
5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine
CID 66303763
2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 102928850
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302948
4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine
CID 102929314
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine
CID 102928875
5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine
CID 103150464
4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102929704
5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302748
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine (CID 102928957) is 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine is CNc1nc(CCOCCOC)nc(C2CCCC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine?
The InChIKey is JLFGMEKIPSMUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-17-15-13(16)14(11-5-3-4-6-11)18-12(19-15)7-8-21-10-9-20-2/h11H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine?
5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine has a molecular weight of 358.28 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 102928957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).