5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine

C11H16BrN3O — CID 106997633

IUPAC5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine
SMILESCOc1nc(NC2(C)CCCC2)ncc1Br
InChIInChI=1S/C11H16BrN3O/c1-11(5-3-4-6-11)15-10-13-7-8(12)9(14-10)16-2/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLAUSITUEQQLDPK-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.99
Rot. Bonds3

About 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine (PubChem CID 106997633) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine
PubChem CID106997633
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine
SMILESCOc1nc(NC2(C)CCCC2)ncc1Br
InChIInChI=1S/C11H16BrN3O/c1-11(5-3-4-6-11)15-10-13-7-8(12)9(14-10)16-2/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLAUSITUEQQLDPK-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine (CID 106997633) is 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine is COc1nc(NC2(C)CCCC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine?
The InChIKey is LAUSITUEQQLDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-11(5-3-4-6-11)15-10-13-7-8(12)9(14-10)16-2/h7H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine has a molecular weight of 286.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine is sourced from PubChem (CID 106997633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).