5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine

C12H18BrN3O — CID 66298195

IUPAC5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCC(C)C2)nc(N)c1Br
InChIInChI=1S/C12H18BrN3O/c1-7-3-4-8(5-7)12-15-9(6-17-2)10(13)11(14)16-12/h7-8H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyGPSOPUPXWSBASM-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine (PubChem CID 66298195) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine
PubChem CID66298195
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCC(C)C2)nc(N)c1Br
InChIInChI=1S/C12H18BrN3O/c1-7-3-4-8(5-7)12-15-9(6-17-2)10(13)11(14)16-12/h7-8H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyGPSOPUPXWSBASM-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine (CID 66298195) is 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine is COCc1nc(C2CCC(C)C2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine?
The InChIKey is GPSOPUPXWSBASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-7-3-4-8(5-7)12-15-9(6-17-2)10(13)11(14)16-12/h7-8H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine has a molecular weight of 300.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine is sourced from PubChem (CID 66298195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).