5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine

C15H24BrN3O — CID 106999006

IUPAC5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCOc1nc(N(CCC(C)C)C2CCCC2)ncc1Br
InChIInChI=1S/C15H24BrN3O/c1-11(2)8-9-19(12-6-4-5-7-12)15-17-10-13(16)14(18-15)20-3/h10-12H,4-9H2,1-3H3
InChIKeyZVIYXYPBZXWGSG-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.04
Rot. Bonds6

About 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine

5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 106999006) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID106999006
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCOc1nc(N(CCC(C)C)C2CCCC2)ncc1Br
InChIInChI=1S/C15H24BrN3O/c1-11(2)8-9-19(12-6-4-5-7-12)15-17-10-13(16)14(18-15)20-3/h10-12H,4-9H2,1-3H3
InChIKeyZVIYXYPBZXWGSG-UHFFFAOYSA-N
XLogP4.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine (CID 106999006) is 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine is COc1nc(N(CCC(C)C)C2CCCC2)ncc1Br.
What is the InChIKey of 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is ZVIYXYPBZXWGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-11(2)8-9-19(12-6-4-5-7-12)15-17-10-13(16)14(18-15)20-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine?
5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 342.28 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 106999006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).