5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine

C13H20BrN3O — CID 113390490

IUPAC5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine
SMILESCOCCCc1nc(N)c(Br)c(C2CCCC2)n1
InChIInChI=1S/C13H20BrN3O/c1-18-8-4-7-10-16-12(9-5-2-3-6-9)11(14)13(15)17-10/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyQGZGAKDHFMHZOB-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.06
Rot. Bonds5

About 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine

5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine (PubChem CID 113390490) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine
PubChem CID113390490
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine
SMILESCOCCCc1nc(N)c(Br)c(C2CCCC2)n1
InChIInChI=1S/C13H20BrN3O/c1-18-8-4-7-10-16-12(9-5-2-3-6-9)11(14)13(15)17-10/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyQGZGAKDHFMHZOB-UHFFFAOYSA-N
XLogP3.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cycloheptyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine
CID 65093747
5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine
CID 102928957
5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66301916
5-bromo-2-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 66294302
5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 66302529
5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine
CID 66293231
5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine
CID 66303546
5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
CID 66303346
4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine
CID 102929314
5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301705
5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine
CID 65093955
5-bromo-4-chloro-2-(3-methoxypropyl)-6-propan-2-ylpyrimidine
CID 66292799

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine (CID 113390490) is 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine is COCCCc1nc(N)c(Br)c(C2CCCC2)n1.
What is the InChIKey of 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine?
The InChIKey is QGZGAKDHFMHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-18-8-4-7-10-16-12(9-5-2-3-6-9)11(14)13(15)17-10/h9H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine?
5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 113390490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).