5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine

C12H18BrN3O — CID 106997842

IUPAC5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NC2CCCC2(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-12(2)6-4-5-9(12)15-11-14-7-8(13)10(16-11)17-3/h7,9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyHYVVMEZPDFALNR-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.24
Rot. Bonds3

About 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine (PubChem CID 106997842) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
PubChem CID106997842
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NC2CCCC2(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-12(2)6-4-5-9(12)15-11-14-7-8(13)10(16-11)17-3/h7,9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyHYVVMEZPDFALNR-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(2,2-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80849952
5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine
CID 106997633
5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine
CID 106997879
2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine
CID 79861067
5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 106997817
1-N-(5-bromo-4-methoxypyrimidin-2-yl)cyclobutane-1,3-diamine
CID 106998056
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
CID 103748709
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80929537
3-bromo-5-chloro-N-(2,2-dimethylcyclopentyl)-2-methoxyaniline
CID 79860629
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine (CID 106997842) is 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine is COc1nc(NC2CCCC2(C)C)ncc1Br.
What is the InChIKey of 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine?
The InChIKey is HYVVMEZPDFALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-12(2)6-4-5-9(12)15-11-14-7-8(13)10(16-11)17-3/h7,9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine has a molecular weight of 300.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106997842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).